4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole

C236H406ClF2N39O5S4 — CID 158906943

IUPAC4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole
SMILESCC(C)C1CC(C(C)C)C1.CC(C)C1CC1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc2n(n1)CCC2C(C)C.CC(C)c1ccc(C#N)n1C(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nc2cccc(C(C)C)c2s1.CC(C)c1nn(C(C)C)cc1F.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.Cc1c(Cl)c(C(C)C)nn1C(C)C.Cc1c(F)c(C(C)C)nn1C(C)C.Cc1cc(C(C)C)n(C(C)C)n1
InChIInChI=1S/C13H17NS.C12H20N2.C11H16N2.C11H17N.C10H17ClN2.C10H17FN2.C10H18N2.C10H20.C9H15FN2.4C9H16N2.4C9H15NO.2C9H15NS.C9H19N.C9H18.2C8H15N3.C8H14N2O.C8H14N2S/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)10-5-6-14-12(10)7-11(13-14)9(3)4;1-8(2)11-6-5-10(7-12)13(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;2*1-6(2)10-9(11)8(5)13(12-10)7(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)9-8(10)5-12(11-9)7(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)8-5-9(8)7(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;7-10H,5-6H2,1-4H3;5-6,8-9H,1-4H3;5-9H,1-4H3;2*6-7H,1-5H3;6-8H,1-5H3;7-10H,5-6H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3,(H,10,11);6*5-7H,1-4H3;7-9H,5-6H2,1-4H3;6-9H,5H2,1-4H3;2*5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3
InChIKeyJGDVBEPLJZNXDH-UHFFFAOYSA-N
MW4071.83 g/mol
LogP72.76
Rot. Bonds50

About 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole

4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole (PubChem CID 158906943) has the molecular formula C236H406ClF2N39O5S4 and a molecular weight of 4071.83 g/mol. Its IUPAC name is 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole
PubChem CID158906943
Molecular FormulaC236H406ClF2N39O5S4
Molecular Weight4071.83 g/mol
Exact Mass4068.13
IUPAC Name4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole
SMILESCC(C)C1CC(C(C)C)C1.CC(C)C1CC1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc2n(n1)CCC2C(C)C.CC(C)c1ccc(C#N)n1C(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nc2cccc(C(C)C)c2s1.CC(C)c1nn(C(C)C)cc1F.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.Cc1c(Cl)c(C(C)C)nn1C(C)C.Cc1c(F)c(C(C)C)nn1C(C)C.Cc1cc(C(C)C)n(C(C)C)n1
InChIInChI=1S/C13H17NS.C12H20N2.C11H16N2.C11H17N.C10H17ClN2.C10H17FN2.C10H18N2.C10H20.C9H15FN2.4C9H16N2.4C9H15NO.2C9H15NS.C9H19N.C9H18.2C8H15N3.C8H14N2O.C8H14N2S/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)10-5-6-14-12(10)7-11(13-14)9(3)4;1-8(2)11-6-5-10(7-12)13(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;2*1-6(2)10-9(11)8(5)13(12-10)7(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)9-8(10)5-12(11-9)7(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)8-5-9(8)7(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;7-10H,5-6H2,1-4H3;5-6,8-9H,1-4H3;5-9H,1-4H3;2*6-7H,1-5H3;6-8H,1-5H3;7-10H,5-6H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3,(H,10,11);6*5-7H,1-4H3;7-9H,5-6H2,1-4H3;6-9H,5H2,1-4H3;2*5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3
InChIKeyJGDVBEPLJZNXDH-UHFFFAOYSA-N
XLogP72.76
TPSA528.44 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds50
Heavy Atoms287
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004071.83
LogP ≤ 572.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Analyze 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole?
The IUPAC name of 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole (CID 158906943) is 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole?
The canonical SMILES for 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole is CC(C)C1CC(C(C)C)C1.CC(C)C1CC1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc2n(n1)CCC2C(C)C.CC(C)c1ccc(C#N)n1C(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nc2cccc(C(C)C)c2s1.CC(C)c1nn(C(C)C)cc1F.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.Cc1c(Cl)c(C(C)C)nn1C(C)C.Cc1c(F)c(C(C)C)nn1C(C)C.Cc1cc(C(C)C)n(C(C)C)n1.
What is the InChIKey of 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole?
The InChIKey is JGDVBEPLJZNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS.C12H20N2.C11H16N2.C11H17N.C10H17ClN2.C10H17FN2.C10H18N2.C10H20.C9H15FN2.4C9H16N2.4C9H15NO.2C9H15NS.C9H19N.C9H18.2C8H15N3.C8H14N2O.C8H14N2S/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)10-5-6-14-12(10)7-11(13-14)9(3)4;1-8(2)11-6-5-10(7-12)13(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;2*1-6(2)10-9(11)8(5)13(12-10)7(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)9-8(10)5-12(11-9)7(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)8-5-9(8)7(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;7-10H,5-6H2,1-4H3;5-6,8-9H,1-4H3;5-9H,1-4H3;2*6-7H,1-5H3;6-8H,1-5H3;7-10H,5-6H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3,(H,10,11);6*5-7H,1-4H3;7-9H,5-6H2,1-4H3;6-9H,5H2,1-4H3;2*5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3.
What are the key properties of 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole?
4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole has a molecular weight of 4071.83 g/mol, XLogP of 72.76, 50 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyrrole-2-carbonitrile;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);4-fluoro-1,3-di(propan-2-yl)pyrazole;4-fluoro-5-methyl-1,3-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 158906943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).