1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine

C15H27N3 — CID 60808172

IUPAC1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine
SMILESCCC(C)(C)C1CCC(Nc2ccn(C)n2)CC1
InChIInChI=1S/C15H27N3/c1-5-15(2,3)12-6-8-13(9-7-12)16-14-10-11-18(4)17-14/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyYBRAFFDXXNEKGO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.83
Rot. Bonds4

About 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine

1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine (PubChem CID 60808172) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine
PubChem CID60808172
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine
SMILESCCC(C)(C)C1CCC(Nc2ccn(C)n2)CC1
InChIInChI=1S/C15H27N3/c1-5-15(2,3)12-6-8-13(9-7-12)16-14-10-11-18(4)17-14/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyYBRAFFDXXNEKGO-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-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

1-(cyclohexylmethyl)-1H-pyrazol-5-amine
CID 4962298
4,4-Dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile
CID 71851060
1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
CID 75483546
3-[3-[(2,4-Dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide
CID 75521112
1-(2,2-difluoroethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 97797578
1-(1,4-Dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea
CID 136539463
1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-5-amine
CID 64754078
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64755468
1-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64757389
1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64758690
1-(2,2-difluoroethyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 75516856
1-(2,2-difluoroethyl)-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 97797579

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine (CID 60808172) is 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine is CCC(C)(C)C1CCC(Nc2ccn(C)n2)CC1.
What is the InChIKey of 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine?
The InChIKey is YBRAFFDXXNEKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-15(2,3)12-6-8-13(9-7-12)16-14-10-11-18(4)17-14/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine?
1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine is sourced from PubChem (CID 60808172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).