N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline

C17H16FN3 — CID 62122481

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1cc(CNc2ccccc2-n2cccn2)ccc1F
InChIInChI=1S/C17H16FN3/c1-13-11-14(7-8-15(13)18)12-19-16-5-2-3-6-17(16)21-10-4-9-20-21/h2-11,19H,12H2,1H3
InChIKeyZPKQTZIOPMHMMQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.93
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline

N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 62122481) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
PubChem CID62122481
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1cc(CNc2ccccc2-n2cccn2)ccc1F
InChIInChI=1S/C17H16FN3/c1-13-11-14(7-8-15(13)18)12-19-16-5-2-3-6-17(16)21-10-4-9-20-21/h2-11,19H,12H2,1H3
InChIKeyZPKQTZIOPMHMMQ-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
N-[(4-fluoro-3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62120050
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
N-[(3,4-dimethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43784452
5-chloro-N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 51890254
2-methyl-6-[(2-pyrazol-1-ylanilino)methyl]phenol
CID 115904144
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 43705914
N-[(4-bromo-3-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66474810

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline (CID 62122481) is N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline is Cc1cc(CNc2ccccc2-n2cccn2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is ZPKQTZIOPMHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-13-11-14(7-8-15(13)18)12-19-16-5-2-3-6-17(16)21-10-4-9-20-21/h2-11,19H,12H2,1H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline?
N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 281.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 62122481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).