5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole

C250H322ClF3N41O6S+ — CID 163588971

IUPAC5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole
SMILESC=CC(=C)C1=NCC(NC(C)C)=C1.CC(C)C(=O)Nc1ccccn1.CC(C)C(=O)c1ccccc1.CC(C)C1=NCC2(CCCC2)C1.CC(C)NC(=O)c1ccccc1.CC(C)Nc1cccnn1.CC(C)Nc1n[nH]c2ccccc12.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnn(C(C)C)c1.CC(C)n1cc(-c2ccccc2)cn1.CC(C)n1ccc(-c2cccc(C(F)(F)F)c2)n1.CC(C)n1ccc(-c2cccc(Cl)c2)n1.CC(C)n1ccc(-c2ccccc2)n1.COc1cccc(-c2ccn(C(C)C)n2)c1.Cc1cccc(-c2ccn(C(C)C)n2)c1.Cc1cccc(-c2cn(C(C)C)nn2)c1.Cc1cccc(-c2cnc(C(C)C)o2)c1.Cc1cccc(-c2csc(C(C)C)n2)c1.Cc1cccc(-c2nc(C(C)C)no2)c1.Cc1cccc(-n2ccc(C(C)C)n2)c1.Cc1cccc([N+]2=NC(C(C)C)C=C2)c1.Cc1ccccc1-c1ccn(C(C)C)n1
InChIInChI=1S/C13H13F3N2.C13H16N2O.C13H16N2.C13H17N2.2C13H16N2.C13H15NO.C13H15NS.C12H13ClN2.C12H15N3.C12H14N2O.2C12H14N2.C11H16N2.C11H19N.C10H13N3.C10H13NO.C10H12O.C9H12N2O.2C9H16N2.C7H11N3/c1-9(2)18-7-6-12(17-18)10-4-3-5-11(8-10)13(14,15)16;1-10(2)15-8-7-13(14-15)11-5-4-6-12(9-11)16-3;1-10(2)15-8-7-13(14-15)12-6-4-5-11(3)9-12;2*1-10(2)13-7-8-15(14-13)12-6-4-5-11(3)9-12;1-10(2)15-9-8-13(14-15)12-7-5-4-6-11(12)3;1-9(2)13-14-8-12(15-13)11-6-4-5-10(3)7-11;1-9(2)13-14-12(8-15-13)11-6-4-5-10(3)7-11;1-9(2)15-7-6-12(14-15)10-4-3-5-11(13)8-10;1-9(2)15-8-12(13-14-15)11-6-4-5-10(3)7-11;1-8(2)11-13-12(15-14-11)10-6-4-5-9(3)7-10;1-10(2)14-9-12(8-13-14)11-6-4-3-5-7-11;1-10(2)14-9-8-12(13-14)11-6-4-3-5-7-11;1-5-9(4)11-6-10(7-12-11)13-8(2)3;1-9(2)10-7-11(8-12-10)5-3-4-6-11;1-7(2)11-10-8-5-3-4-6-9(8)12-13-10;1-8(2)11-10(12)9-6-4-3-5-7-9;1-8(2)10(11)9-6-4-3-5-7-9;1-7(2)9(12)11-8-5-3-4-6-10-8;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)9-7-4-3-5-8-10-7/h3-9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;4-10,13H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;3-9H,1-2H3;4-9H,1-3H3;4-8H,1-3H3;2*3-10H,1-2H3;5-6,8,13H,1,4,7H2,2-3H3;9H,3-8H2,1-2H3;3-7H,1-2H3,(H2,11,12,13);3-8H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3,(H,10,11,12);2*5-8H,1-4H3;3-6H,1-2H3,(H,9,10)/q;;;+1;;;;;;;;;;;;;;;;;;
InChIKeyUSGPSCDCYVUXPP-UHFFFAOYSA-N
MW4122.12 g/mol
LogP65.17
Rot. Bonds46

About 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole

5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole (PubChem CID 163588971) has the molecular formula C250H322ClF3N41O6S+ and a molecular weight of 4122.12 g/mol. Its IUPAC name is 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole
PubChem CID163588971
Molecular FormulaC250H322ClF3N41O6S+
Molecular Weight4122.12 g/mol
Exact Mass4118.55
IUPAC Name5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole
SMILESC=CC(=C)C1=NCC(NC(C)C)=C1.CC(C)C(=O)Nc1ccccn1.CC(C)C(=O)c1ccccc1.CC(C)C1=NCC2(CCCC2)C1.CC(C)NC(=O)c1ccccc1.CC(C)Nc1cccnn1.CC(C)Nc1n[nH]c2ccccc12.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnn(C(C)C)c1.CC(C)n1cc(-c2ccccc2)cn1.CC(C)n1ccc(-c2cccc(C(F)(F)F)c2)n1.CC(C)n1ccc(-c2cccc(Cl)c2)n1.CC(C)n1ccc(-c2ccccc2)n1.COc1cccc(-c2ccn(C(C)C)n2)c1.Cc1cccc(-c2ccn(C(C)C)n2)c1.Cc1cccc(-c2cn(C(C)C)nn2)c1.Cc1cccc(-c2cnc(C(C)C)o2)c1.Cc1cccc(-c2csc(C(C)C)n2)c1.Cc1cccc(-c2nc(C(C)C)no2)c1.Cc1cccc(-n2ccc(C(C)C)n2)c1.Cc1cccc([N+]2=NC(C(C)C)C=C2)c1.Cc1ccccc1-c1ccn(C(C)C)n1
InChIInChI=1S/C13H13F3N2.C13H16N2O.C13H16N2.C13H17N2.2C13H16N2.C13H15NO.C13H15NS.C12H13ClN2.C12H15N3.C12H14N2O.2C12H14N2.C11H16N2.C11H19N.C10H13N3.C10H13NO.C10H12O.C9H12N2O.2C9H16N2.C7H11N3/c1-9(2)18-7-6-12(17-18)10-4-3-5-11(8-10)13(14,15)16;1-10(2)15-8-7-13(14-15)11-5-4-6-12(9-11)16-3;1-10(2)15-8-7-13(14-15)12-6-4-5-11(3)9-12;2*1-10(2)13-7-8-15(14-13)12-6-4-5-11(3)9-12;1-10(2)15-9-8-13(14-15)12-7-5-4-6-11(12)3;1-9(2)13-14-8-12(15-13)11-6-4-5-10(3)7-11;1-9(2)13-14-12(8-15-13)11-6-4-5-10(3)7-11;1-9(2)15-7-6-12(14-15)10-4-3-5-11(13)8-10;1-9(2)15-8-12(13-14-15)11-6-4-5-10(3)7-11;1-8(2)11-13-12(15-14-11)10-6-4-5-9(3)7-10;1-10(2)14-9-12(8-13-14)11-6-4-3-5-7-11;1-10(2)14-9-8-12(13-14)11-6-4-3-5-7-11;1-5-9(4)11-6-10(7-12-11)13-8(2)3;1-9(2)10-7-11(8-12-10)5-3-4-6-11;1-7(2)11-10-8-5-3-4-6-9(8)12-13-10;1-8(2)11-10(12)9-6-4-3-5-7-9;1-8(2)10(11)9-6-4-3-5-7-9;1-7(2)9(12)11-8-5-3-4-6-10-8;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)9-7-4-3-5-8-10-7/h3-9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;4-10,13H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;3-9H,1-2H3;4-9H,1-3H3;4-8H,1-3H3;2*3-10H,1-2H3;5-6,8,13H,1,4,7H2,2-3H3;9H,3-8H2,1-2H3;3-7H,1-2H3,(H2,11,12,13);3-8H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3,(H,10,11,12);2*5-8H,1-4H3;3-6H,1-2H3,(H,9,10)/q;;;+1;;;;;;;;;;;;;;;;;;
InChIKeyUSGPSCDCYVUXPP-UHFFFAOYSA-N
XLogP65.17
TPSA514.78 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds46
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004122.12
LogP ≤ 565.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Analyze 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole with MolForge

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Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;4-phenyl-1-propan-2-ylimidazole;3-phenyl-1-propan-2-ylpyrazole;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole
CID 160282550
4-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylpyrido[3,2-d]pyrimidine;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 157323746
4-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 158016673
5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 159072304
4-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 159151940
7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 159485445
2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;3-tert-butyl-1-methylindole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazole
CID 159979069
benzyl 4-tert-butylpiperidine-1-carboxylate;1-butan-2-yl-2-tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;1-butyl-2-tert-butylbenzene;2-tert-butyl-3-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-4-fluoro-1,3-benzothiazole;6-tert-butyl-1H-indazole;1-tert-butyl-2-methylbenzene;1-tert-butyl-2-phenoxybenzene;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;1-tert-butyl-2-propylbenzene;6-tert-butyl-7H-purine;6-tert-butyl-1H-pyrimidin-2-one;trans-(1S,2R)-2-tert-butylcyclohexan-1-ol
CID 161506027

Frequently Asked Questions

What is the IUPAC name of 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole (CID 163588971) is 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole is C=CC(=C)C1=NCC(NC(C)C)=C1.CC(C)C(=O)Nc1ccccn1.CC(C)C(=O)c1ccccc1.CC(C)C1=NCC2(CCCC2)C1.CC(C)NC(=O)c1ccccc1.CC(C)Nc1cccnn1.CC(C)Nc1n[nH]c2ccccc12.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnn(C(C)C)c1.CC(C)n1cc(-c2ccccc2)cn1.CC(C)n1ccc(-c2cccc(C(F)(F)F)c2)n1.CC(C)n1ccc(-c2cccc(Cl)c2)n1.CC(C)n1ccc(-c2ccccc2)n1.COc1cccc(-c2ccn(C(C)C)n2)c1.Cc1cccc(-c2ccn(C(C)C)n2)c1.Cc1cccc(-c2cn(C(C)C)nn2)c1.Cc1cccc(-c2cnc(C(C)C)o2)c1.Cc1cccc(-c2csc(C(C)C)n2)c1.Cc1cccc(-c2nc(C(C)C)no2)c1.Cc1cccc(-n2ccc(C(C)C)n2)c1.Cc1cccc([N+]2=NC(C(C)C)C=C2)c1.Cc1ccccc1-c1ccn(C(C)C)n1.
What is the InChIKey of 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is USGPSCDCYVUXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2.C13H16N2O.C13H16N2.C13H17N2.2C13H16N2.C13H15NO.C13H15NS.C12H13ClN2.C12H15N3.C12H14N2O.2C12H14N2.C11H16N2.C11H19N.C10H13N3.C10H13NO.C10H12O.C9H12N2O.2C9H16N2.C7H11N3/c1-9(2)18-7-6-12(17-18)10-4-3-5-11(8-10)13(14,15)16;1-10(2)15-8-7-13(14-15)11-5-4-6-12(9-11)16-3;1-10(2)15-8-7-13(14-15)12-6-4-5-11(3)9-12;2*1-10(2)13-7-8-15(14-13)12-6-4-5-11(3)9-12;1-10(2)15-9-8-13(14-15)12-7-5-4-6-11(12)3;1-9(2)13-14-8-12(15-13)11-6-4-5-10(3)7-11;1-9(2)13-14-12(8-15-13)11-6-4-5-10(3)7-11;1-9(2)15-7-6-12(14-15)10-4-3-5-11(13)8-10;1-9(2)15-8-12(13-14-15)11-6-4-5-10(3)7-11;1-8(2)11-13-12(15-14-11)10-6-4-5-9(3)7-10;1-10(2)14-9-12(8-13-14)11-6-4-3-5-7-11;1-10(2)14-9-8-12(13-14)11-6-4-3-5-7-11;1-5-9(4)11-6-10(7-12-11)13-8(2)3;1-9(2)10-7-11(8-12-10)5-3-4-6-11;1-7(2)11-10-8-5-3-4-6-9(8)12-13-10;1-8(2)11-10(12)9-6-4-3-5-7-9;1-8(2)10(11)9-6-4-3-5-7-9;1-7(2)9(12)11-8-5-3-4-6-10-8;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)9-7-4-3-5-8-10-7/h3-9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;4-10,13H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;3-9H,1-2H3;4-9H,1-3H3;4-8H,1-3H3;2*3-10H,1-2H3;5-6,8,13H,1,4,7H2,2-3H3;9H,3-8H2,1-2H3;3-7H,1-2H3,(H2,11,12,13);3-8H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3,(H,10,11,12);2*5-8H,1-4H3;3-6H,1-2H3,(H,9,10)/q;;;+1;;;;;;;;;;;;;;;;;;.
What are the key properties of 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole?
5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 4122.12 g/mol, XLogP of 65.17, 46 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-buta-1,3-dien-2-yl-N-propan-2-yl-2H-pyrrol-3-amine;3-(3-chlorophenyl)-1-propan-2-ylpyrazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3-(3-methoxyphenyl)-1-propan-2-ylpyrazole;2-methyl-1-phenylpropan-1-one;5-(3-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;1-(3-methylphenyl)-3-propan-2-ylpyrazole;3-(2-methylphenyl)-1-propan-2-ylpyrazole;3-(3-methylphenyl)-1-propan-2-ylpyrazole;1-(3-methylphenyl)-3-propan-2-yl-3H-pyrazol-1-ium;4-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;4-(3-methylphenyl)-1-propan-2-yltriazole;2-methyl-N-pyridin-2-ylpropanamide;3-phenyl-1-propan-2-ylpyrazole;4-phenyl-1-propan-2-ylpyrazole;3-propan-2-yl-2-azaspiro[4.4]non-2-ene;N-propan-2-ylbenzamide;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylpyridazin-3-amine;1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 163588971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).