N-methyl-2-(3-phenylpyrazol-1-yl)aniline

C16H15N3 — CID 869424

IUPACN-methyl-2-(3-phenylpyrazol-1-yl)aniline
SMILESCNc1ccccc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C16H15N3/c1-17-15-9-5-6-10-16(15)19-12-11-14(18-19)13-7-3-2-4-8-13/h2-12,17H,1H3
InChIKeyLZKRGOLPUZCCOQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.58
Rot. Bonds3

About N-methyl-2-(3-phenylpyrazol-1-yl)aniline

N-methyl-2-(3-phenylpyrazol-1-yl)aniline (PubChem CID 869424) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-methyl-2-(3-phenylpyrazol-1-yl)aniline.

Molecular Properties

Compound NameN-methyl-2-(3-phenylpyrazol-1-yl)aniline
PubChem CID869424
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-methyl-2-(3-phenylpyrazol-1-yl)aniline
SMILESCNc1ccccc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C16H15N3/c1-17-15-9-5-6-10-16(15)19-12-11-14(18-19)13-7-3-2-4-8-13/h2-12,17H,1H3
InChIKeyLZKRGOLPUZCCOQ-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(3-phenylpyrazol-1-yl)aniline 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-methyl-2-(3-phenylpyrazol-1-yl)aniline?
The IUPAC name of N-methyl-2-(3-phenylpyrazol-1-yl)aniline (CID 869424) is N-methyl-2-(3-phenylpyrazol-1-yl)aniline.
What is the SMILES notation for N-methyl-2-(3-phenylpyrazol-1-yl)aniline?
The canonical SMILES for N-methyl-2-(3-phenylpyrazol-1-yl)aniline is CNc1ccccc1-n1ccc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-(3-phenylpyrazol-1-yl)aniline?
The InChIKey is LZKRGOLPUZCCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-17-15-9-5-6-10-16(15)19-12-11-14(18-19)13-7-3-2-4-8-13/h2-12,17H,1H3.
What are the key properties of N-methyl-2-(3-phenylpyrazol-1-yl)aniline?
N-methyl-2-(3-phenylpyrazol-1-yl)aniline has a molecular weight of 249.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylpyrazol-1-yl)aniline is sourced from PubChem (CID 869424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).