1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine

C16H21N3 — CID 83222719

IUPAC1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine
SMILESCc1cc(C)cc(-c2nn(C3CCCC3)cc2N)c1
InChIInChI=1S/C16H21N3/c1-11-7-12(2)9-13(8-11)16-15(17)10-19(18-16)14-5-3-4-6-14/h7-10,14H,3-6,17H2,1-2H3
InChIKeyAFTJJJCVWSAUCD-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.86
Rot. Bonds2

About 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine

1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine (PubChem CID 83222719) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine
PubChem CID83222719
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine
SMILESCc1cc(C)cc(-c2nn(C3CCCC3)cc2N)c1
InChIInChI=1S/C16H21N3/c1-11-7-12(2)9-13(8-11)16-15(17)10-19(18-16)14-5-3-4-6-14/h7-10,14H,3-6,17H2,1-2H3
InChIKeyAFTJJJCVWSAUCD-UHFFFAOYSA-N
XLogP3.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine?
The IUPAC name of 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine (CID 83222719) is 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine is Cc1cc(C)cc(-c2nn(C3CCCC3)cc2N)c1.
What is the InChIKey of 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine?
The InChIKey is AFTJJJCVWSAUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-7-12(2)9-13(8-11)16-15(17)10-19(18-16)14-5-3-4-6-14/h7-10,14H,3-6,17H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine?
1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3,5-dimethylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83222719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).