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

C17H16FN3 — CID 63645199

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2ccc(-n3cccn3)cc2)cc1F
InChIInChI=1S/C17H16FN3/c1-13-3-4-14(11-17(13)18)12-19-15-5-7-16(8-6-15)21-10-2-9-20-21/h2-11,19H,12H2,1H3
InChIKeyDMQZSMAMYGLSTG-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.93
Rot. Bonds4

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

N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline (PubChem CID 63645199) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
PubChem CID63645199
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2ccc(-n3cccn3)cc2)cc1F
InChIInChI=1S/C17H16FN3/c1-13-3-4-14(11-17(13)18)12-19-15-5-7-16(8-6-15)21-10-2-9-20-21/h2-11,19H,12H2,1H3
InChIKeyDMQZSMAMYGLSTG-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-[(3-fluoro-4-methylphenyl)methyl]-4-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-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688239
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 62134405
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688256
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111854071
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112
N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 62122481

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline (CID 63645199) is N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline is Cc1ccc(CNc2ccc(-n3cccn3)cc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline?
The InChIKey is DMQZSMAMYGLSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-13-3-4-14(11-17(13)18)12-19-15-5-7-16(8-6-15)21-10-2-9-20-21/h2-11,19H,12H2,1H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline?
N-[(3-fluoro-4-methylphenyl)methyl]-4-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-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline is sourced from PubChem (CID 63645199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).