N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine

C18H19N3 — CID 4542066

IUPACN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-14-7-9-16(10-8-14)18-17(13-20-21-18)12-19-11-15-5-3-2-4-6-15/h2-10,13,19H,11-12H2,1H3,(H,20,21)
InChIKeyYCDGSQZJXKAGRF-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.67
Rot. Bonds5

About N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine

N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine (PubChem CID 4542066) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine
PubChem CID4542066
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-14-7-9-16(10-8-14)18-17(13-20-21-18)12-19-11-15-5-3-2-4-6-15/h2-10,13,19H,11-12H2,1H3,(H,20,21)
InChIKeyYCDGSQZJXKAGRF-UHFFFAOYSA-N
XLogP3.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine 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 N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine (CID 4542066) is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine is Cc1ccc(-c2[nH]ncc2CNCc2ccccc2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine?
The InChIKey is YCDGSQZJXKAGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14-7-9-16(10-8-14)18-17(13-20-21-18)12-19-11-15-5-3-2-4-6-15/h2-10,13,19H,11-12H2,1H3,(H,20,21).
What are the key properties of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine?
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 4542066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).