2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine

C18H19N3 — CID 16784817

IUPAC2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine
SMILESCc1ccc(C)c(C(c2ccccc2)n2nccc2N)c1
InChIInChI=1S/C18H19N3/c1-13-8-9-14(2)16(12-13)18(15-6-4-3-5-7-15)21-17(19)10-11-20-21/h3-12,18H,19H2,1-2H3
InChIKeyAWZHMKIJVHCRHD-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.72
Rot. Bonds3

About 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine

2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine (PubChem CID 16784817) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine
PubChem CID16784817
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine
SMILESCc1ccc(C)c(C(c2ccccc2)n2nccc2N)c1
InChIInChI=1S/C18H19N3/c1-13-8-9-14(2)16(12-13)18(15-6-4-3-5-7-15)21-17(19)10-11-20-21/h3-12,18H,19H2,1-2H3
InChIKeyAWZHMKIJVHCRHD-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,5-dimethylphenyl)-phenylmethyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine (CID 16784817) is 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine is Cc1ccc(C)c(C(c2ccccc2)n2nccc2N)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine?
The InChIKey is AWZHMKIJVHCRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-8-9-14(2)16(12-13)18(15-6-4-3-5-7-15)21-17(19)10-11-20-21/h3-12,18H,19H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine?
2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine has a molecular weight of 277.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine is sourced from PubChem (CID 16784817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).