3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine

C16H27N5 — CID 79570429

IUPAC3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine
SMILESCCCCn1c(C(C)(C)C)nc(-c2cnn(C)c2C)c1N
InChIInChI=1S/C16H27N5/c1-7-8-9-21-14(17)13(19-15(21)16(3,4)5)12-10-18-20(6)11(12)2/h10H,7-9,17H2,1-6H3
InChIKeyPCZOVPMOYQLKJY-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.27
Rot. Bonds4

About 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine

3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine (PubChem CID 79570429) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine
PubChem CID79570429
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine
SMILESCCCCn1c(C(C)(C)C)nc(-c2cnn(C)c2C)c1N
InChIInChI=1S/C16H27N5/c1-7-8-9-21-14(17)13(19-15(21)16(3,4)5)12-10-18-20(6)11(12)2/h10H,7-9,17H2,1-6H3
InChIKeyPCZOVPMOYQLKJY-UHFFFAOYSA-N
XLogP3.27
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine 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

3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine
CID 62220408
2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine
CID 79584029
3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine
CID 63468560
5-(1,5-dimethylpyrazol-4-yl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 79583562
4-(1,5-dimethylpyrazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine
CID 79583939
5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
CID 66481274
3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine
CID 62384669
3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine
CID 62226365
2-(1,5-dimethylpyrazol-4-yl)-6-methylpyridin-3-amine;ethane
CID 169253840
2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
CID 83090080
5-bromo-6-tert-butyl-2-(1,5-dimethylpyrazol-4-yl)pyrimidin-4-amine
CID 79584597
3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220345

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine (CID 79570429) is 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine is CCCCn1c(C(C)(C)C)nc(-c2cnn(C)c2C)c1N.
What is the InChIKey of 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine?
The InChIKey is PCZOVPMOYQLKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-7-8-9-21-14(17)13(19-15(21)16(3,4)5)12-10-18-20(6)11(12)2/h10H,7-9,17H2,1-6H3.
What are the key properties of 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine?
3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine has a molecular weight of 289.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 79570429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).