4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole

C38H66N14 — CID 157323392

IUPAC4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole
SMILESCC(C)n1cccn1.CC(C)n1ccnn1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1
InChIInChI=1S/3C7H12N2.C6H11N3.C6H10N2.C5H9N3/c1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9;1-6(2)8-5-3-4-7-8;1-5(2)8-4-3-6-7-8/h3*4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyBEKYLFOEWOUXCQ-UHFFFAOYSA-N
MW719.04 g/mol
LogP8.81
Rot. Bonds6

About 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole

4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole (PubChem CID 157323392) has the molecular formula C38H66N14 and a molecular weight of 719.04 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole
PubChem CID157323392
Molecular FormulaC38H66N14
Molecular Weight719.04 g/mol
Exact Mass718.56
IUPAC Name4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole
SMILESCC(C)n1cccn1.CC(C)n1ccnn1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1
InChIInChI=1S/3C7H12N2.C6H11N3.C6H10N2.C5H9N3/c1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9;1-6(2)8-5-3-4-7-8;1-5(2)8-4-3-6-7-8/h3*4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyBEKYLFOEWOUXCQ-UHFFFAOYSA-N
XLogP8.81
TPSA132.70 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500719.04
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole 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

1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1'-isopropyl-1H,1'H-2,2'-biimidazole
CID 56867218
2-ethyl-4-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56871387
Bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 158459636
4-Chloro-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-3-(trifluoromethyl)pyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 158500827
3,3-Difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole
CID 161882703
3,5-Dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 162070253
1-(2,2-difluoroethyl)-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-5-propan-2-ylpyrazole;1-(1,3-difluoropropan-2-yl)-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)imidazole;bis(1,5-di(propan-2-yl)pyrazole);1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1,5-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-4-propan-2-yl-1-propylpyrazole;tris(1-methyl-5-propan-2-ylpyrazole);3-propan-2-yl-1-propylpyrazole;tris(4-propan-2-yl-1-propylpyrazole);5-propan-2-yl-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole
CID 168399562
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 128966812
1-Propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine)
CID 157085236
1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane
CID 157149950
1,4-Dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,3-dimethylpyrrole;ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole
CID 157285120
butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)tetrazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)
CID 157315111

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole?
The IUPAC name of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole (CID 157323392) is 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole.
What is the SMILES notation for 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole?
The canonical SMILES for 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole is CC(C)n1cccn1.CC(C)n1ccnn1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1.
What is the InChIKey of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole?
The InChIKey is BEKYLFOEWOUXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12N2.C6H11N3.C6H10N2.C5H9N3/c1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-6(3)7-8-9;1-6(2)8-5-3-4-7-8;1-5(2)8-4-3-6-7-8/h3*4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole?
4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole has a molecular weight of 719.04 g/mol, XLogP of 8.81, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole is sourced from PubChem (CID 157323392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).