1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine

C192H297N37O19S — CID 159203097

IUPAC1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1c[nH]c(=O)cn1.CC(C)c1cc(N(C)C)ccn1.CC(C)c1cc(OCC(O)COC(C)(C)C)ccn1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccn[nH]1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cncc(OCC(O)CO)n1.CC(C)c1cncc(OC[C@H](O)CO)n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnncn1.CCC(O)COc1cnc(C(C)C)cn1.CC[C@H](O)COc1cncc(C(C)C)n1.COCCn1cc(C(C)C)ccc1=O.COc1nccnc1C(C)C.Cc1cc(C(C)C)n(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)n1
InChIInChI=1S/C15H25NO3.C11H17N3O.2C11H18N2O2.C11H17NO2.C11H16S.2C10H16N2O3.C10H16N2.C10H15N.C9H13N.C8H12N2O.C8H14N2.2C8H12N2.C8H11NO.C7H10N2O.2C7H10N2.C6H9N3.C6H10N2/c1-11(2)14-8-13(6-7-16-14)18-9-12(17)10-19-15(3,4)5;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-4-9(14)7-15-11-6-12-10(5-13-11)8(2)3;1-4-9(14)7-15-11-6-12-5-10(13-11)8(2)3;1-9(2)10-4-5-11(13)12(8-10)6-7-14-3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)9-3-11-4-10(12-9)15-6-8(14)5-13;1-8(2)10-7-9(12(3)4)5-6-11-10;1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-8(11-3)10-5-4-9-7;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-5-9-4-7(3)10-8;1-6(2)7-3-4-8(10)9-5-7;1-5(2)6-3-9-7(10)4-8-6;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-5(2)6-3-8-9-4-7-6;1-5(2)6-3-4-7-8-6/h6-8,11-12,17H,9-10H2,1-5H3;7-9H,3-6H2,1-2H3;2*5-6,8-9,14H,4,7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;7-8H,3-6H2,1-2H3;2*3-4,7-8,13-14H,5-6H2,1-2H3;5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-5H,1-2H3,(H,9,10);2*3-6H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,7,8)/t;;;9-;;;8-;;;;;;;;;;;;;;/m...0..1............../s1
InChIKeyKPNORDOHSSGYFS-DVMSTTCLSA-N
MW3459.79 g/mol
LogP36.73
Rot. Bonds48

About 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine

1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine (PubChem CID 159203097) has the molecular formula C192H297N37O19S and a molecular weight of 3459.79 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine
PubChem CID159203097
Molecular FormulaC192H297N37O19S
Molecular Weight3459.79 g/mol
Exact Mass3457.31
IUPAC Name1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1c[nH]c(=O)cn1.CC(C)c1cc(N(C)C)ccn1.CC(C)c1cc(OCC(O)COC(C)(C)C)ccn1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccn[nH]1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cncc(OCC(O)CO)n1.CC(C)c1cncc(OC[C@H](O)CO)n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnncn1.CCC(O)COc1cnc(C(C)C)cn1.CC[C@H](O)COc1cncc(C(C)C)n1.COCCn1cc(C(C)C)ccc1=O.COc1nccnc1C(C)C.Cc1cc(C(C)C)n(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)n1
InChIInChI=1S/C15H25NO3.C11H17N3O.2C11H18N2O2.C11H17NO2.C11H16S.2C10H16N2O3.C10H16N2.C10H15N.C9H13N.C8H12N2O.C8H14N2.2C8H12N2.C8H11NO.C7H10N2O.2C7H10N2.C6H9N3.C6H10N2/c1-11(2)14-8-13(6-7-16-14)18-9-12(17)10-19-15(3,4)5;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-4-9(14)7-15-11-6-12-10(5-13-11)8(2)3;1-4-9(14)7-15-11-6-12-5-10(13-11)8(2)3;1-9(2)10-4-5-11(13)12(8-10)6-7-14-3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)9-3-11-4-10(12-9)15-6-8(14)5-13;1-8(2)10-7-9(12(3)4)5-6-11-10;1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-8(11-3)10-5-4-9-7;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-5-9-4-7(3)10-8;1-6(2)7-3-4-8(10)9-5-7;1-5(2)6-3-9-7(10)4-8-6;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-5(2)6-3-8-9-4-7-6;1-5(2)6-3-4-7-8-6/h6-8,11-12,17H,9-10H2,1-5H3;7-9H,3-6H2,1-2H3;2*5-6,8-9,14H,4,7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;7-8H,3-6H2,1-2H3;2*3-4,7-8,13-14H,5-6H2,1-2H3;5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-5H,1-2H3,(H,9,10);2*3-6H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,7,8)/t;;;9-;;;8-;;;;;;;;;;;;;;/m...0..1............../s1
InChIKeyKPNORDOHSSGYFS-DVMSTTCLSA-N
XLogP36.73
TPSA726.30 Ų
H-Bond Donors10
H-Bond Acceptors54
Rotatable Bonds48
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003459.79
LogP ≤ 536.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1054

Analyze 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyridin-2-amine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;2-methyl-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-6-propan-2-ylpyrazine;3-piperidin-1-yl-2-propan-2-ylpyridine;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 162044323
3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine
CID 157483937
N-[5-[(2R)-2,3-dihydroxypropoxy]-3-pyridinyl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]-3-pyridinyl]-2-methylpropanamide;N-[6-[(2S)-2-hydroxybutoxy]pyrazin-2-yl]-2-methylpropanamide;N-[6-[(2R)-2-hydroxybutoxy]pyrazin-2-yl]-2-methylpropanamide;N-[6-[(2S)-2-hydroxybutoxy]pyridazin-4-yl]-2-methylpropanamide;N-[6-[(2R)-2-hydroxybutoxy]pyridazin-4-yl]-2-methylpropanamide;N-[5-[(2S)-2-hydroxybutoxy]pyrimidin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2-hydroxybutoxy]pyrimidin-2-yl]-2-methylpropanamide;2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide;2-methyl-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)propanamide;2-methyl-N-pyrazin-2-ylpropanamide
CID 160357934
N-[6-[(2R)-2,3-dihydroxypropoxy]pyrazin-2-yl]-2-methylpropanamide;N-[6-[(2S)-2,3-dihydroxypropoxy]pyrazin-2-yl]-2-methylpropanamide;N-[5-[(2R)-2,3-dihydroxypropoxy]-3-pyridinyl]-2-methylpropanamide;N-[5-[(2S)-2,3-dihydroxypropoxy]-3-pyridinyl]-2-methylpropanamide;N-[6-(3-hydroxy-2,2-dimethylpropoxy)pyrazin-2-yl]-2-methylpropanamide;N-[6-(2-hydroxyethoxy)pyrazin-2-yl]-2-methylpropanamide;N-[6-(3-hydroxy-3-methylbutoxy)pyrazin-2-yl]-2-methylpropanamide;N-[6-(3-hydroxypropoxy)pyrazin-2-yl]-2-methylpropanamide;2-methyl-N-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propanamide;2-methyl-N-[5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]propanamide;2-methyl-N-pyrazin-2-ylpropanamide
CID 161103430
3,5-dimethyl-2-propan-2-ylpyrazine;methane;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;bis(2-methyl-5-propan-2-ylpyrazine);2-methyl-6-propan-2-ylpyrazine;3-piperidin-1-yl-2-propan-2-ylpyridine;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine
CID 161583448

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine (CID 159203097) is 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine is CC(C)c1c[nH]c(=O)cn1.CC(C)c1cc(N(C)C)ccn1.CC(C)c1cc(OCC(O)COC(C)(C)C)ccn1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccn[nH]1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cncc(OCC(O)CO)n1.CC(C)c1cncc(OC[C@H](O)CO)n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnncn1.CCC(O)COc1cnc(C(C)C)cn1.CC[C@H](O)COc1cncc(C(C)C)n1.COCCn1cc(C(C)C)ccc1=O.COc1nccnc1C(C)C.Cc1cc(C(C)C)n(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)n1.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine?
The InChIKey is KPNORDOHSSGYFS-DVMSTTCLSA-N. The full InChI is InChI=1S/C15H25NO3.C11H17N3O.2C11H18N2O2.C11H17NO2.C11H16S.2C10H16N2O3.C10H16N2.C10H15N.C9H13N.C8H12N2O.C8H14N2.2C8H12N2.C8H11NO.C7H10N2O.2C7H10N2.C6H9N3.C6H10N2/c1-11(2)14-8-13(6-7-16-14)18-9-12(17)10-19-15(3,4)5;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-4-9(14)7-15-11-6-12-10(5-13-11)8(2)3;1-4-9(14)7-15-11-6-12-5-10(13-11)8(2)3;1-9(2)10-4-5-11(13)12(8-10)6-7-14-3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)9-3-11-4-10(12-9)15-6-8(14)5-13;1-8(2)10-7-9(12(3)4)5-6-11-10;1-7(2)10-6-5-8(3)11-9(10)4;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-8(11-3)10-5-4-9-7;1-6(2)8-5-7(3)9-10(8)4;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-5-9-4-7(3)10-8;1-6(2)7-3-4-8(10)9-5-7;1-5(2)6-3-9-7(10)4-8-6;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-5(2)6-3-8-9-4-7-6;1-5(2)6-3-4-7-8-6/h6-8,11-12,17H,9-10H2,1-5H3;7-9H,3-6H2,1-2H3;2*5-6,8-9,14H,4,7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;7-8H,3-6H2,1-2H3;2*3-4,7-8,13-14H,5-6H2,1-2H3;5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-5H,1-2H3,(H,9,10);2*3-6H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,7,8)/t;;;9-;;;8-;;;;;;;;;;;;;;/m...0..1............../s1.
What are the key properties of 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine?
1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine has a molecular weight of 3459.79 g/mol, XLogP of 36.73, 48 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 159203097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).