N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline

C16H13ClFN3 — CID 115743032

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
SMILESFc1c(Cl)cccc1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H13ClFN3/c17-15-4-1-3-12(16(15)18)11-19-13-5-7-14(8-6-13)21-10-2-9-20-21/h1-10,19H,11H2
InChIKeyOEEJHCDGQHATKO-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.28
Rot. Bonds4

About N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline

N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline (PubChem CID 115743032) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
PubChem CID115743032
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
SMILESFc1c(Cl)cccc1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H13ClFN3/c17-15-4-1-3-12(16(15)18)11-19-13-5-7-14(8-6-13)21-10-2-9-20-21/h1-10,19H,11H2
InChIKeyOEEJHCDGQHATKO-UHFFFAOYSA-N
XLogP4.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-2-fluorophenyl)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-chloro-2-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 115743587
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688256
4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 78885226
N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 62134405
N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 115743043
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
4-butan-2-yl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487318
N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739948
N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688239
N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 63645199
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline (CID 115743032) is N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline is Fc1c(Cl)cccc1CNc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
The InChIKey is OEEJHCDGQHATKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-15-4-1-3-12(16(15)18)11-19-13-5-7-14(8-6-13)21-10-2-9-20-21/h1-10,19H,11H2.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline has a molecular weight of 301.75 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline is sourced from PubChem (CID 115743032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).