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

C16H13BrFN3 — CID 43688239

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
SMILESFc1ccc(CNc2ccc(-n3cccn3)cc2)cc1Br
InChIInChI=1S/C16H13BrFN3/c17-15-10-12(2-7-16(15)18)11-19-13-3-5-14(6-4-13)21-9-1-8-20-21/h1-10,19H,11H2
InChIKeyHJOFJDJPAGJTGS-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.39
Rot. Bonds4

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

N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline (PubChem CID 43688239) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
PubChem CID43688239
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
SMILESFc1ccc(CNc2ccc(-n3cccn3)cc2)cc1Br
InChIInChI=1S/C16H13BrFN3/c17-15-10-12(2-7-16(15)18)11-19-13-3-5-14(6-4-13)21-9-1-8-20-21/h1-10,19H,11H2
InChIKeyHJOFJDJPAGJTGS-UHFFFAOYSA-N
XLogP4.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromo-4-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-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 63645199
N-[(3-bromo-4-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60927797
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
2-bromo-5-fluoro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 107632988
N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678377
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688256
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
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
[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 43745244

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline (CID 43688239) is N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline is Fc1ccc(CNc2ccc(-n3cccn3)cc2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
The InChIKey is HJOFJDJPAGJTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-15-10-12(2-7-16(15)18)11-19-13-3-5-14(6-4-13)21-9-1-8-20-21/h1-10,19H,11H2.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline has a molecular weight of 346.20 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline is sourced from PubChem (CID 43688239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).