3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine

C18H25N3 — CID 117455824

IUPAC3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2C2CCCC(C)(C)C2)cc1N
InChIInChI=1S/C18H25N3/c1-18(2)10-6-7-13(12-18)14-8-4-5-9-15(14)16-11-17(19)21(3)20-16/h4-5,8-9,11,13H,6-7,10,12,19H2,1-3H3
InChIKeyQRWVFQUJGCZAMW-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.35
Rot. Bonds2

About 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine

3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117455824) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117455824
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2C2CCCC(C)(C)C2)cc1N
InChIInChI=1S/C18H25N3/c1-18(2)10-6-7-13(12-18)14-8-4-5-9-15(14)16-11-17(19)21(3)20-16/h4-5,8-9,11,13H,6-7,10,12,19H2,1-3H3
InChIKeyQRWVFQUJGCZAMW-UHFFFAOYSA-N
XLogP4.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine (CID 117455824) is 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2ccccc2C2CCCC(C)(C)C2)cc1N.
What is the InChIKey of 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is QRWVFQUJGCZAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2)10-6-7-13(12-18)14-8-4-5-9-15(14)16-11-17(19)21(3)20-16/h4-5,8-9,11,13H,6-7,10,12,19H2,1-3H3.
What are the key properties of 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 283.42 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117455824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).