5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline

C16H13BrClN3 — CID 63478416

IUPAC5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
SMILESClc1ccc(Br)cc1NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H13BrClN3/c17-13-4-7-15(18)16(10-13)19-11-12-2-5-14(6-3-12)21-9-1-8-20-21/h1-10,19H,11H2
InChIKeyUXKRIDGUVUHKJE-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.90
Rot. Bonds4

About 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline

5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline (PubChem CID 63478416) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
PubChem CID63478416
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
SMILESClc1ccc(Br)cc1NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H13BrClN3/c17-13-4-7-15(18)16(10-13)19-11-12-2-5-14(6-3-12)21-9-1-8-20-21/h1-10,19H,11H2
InChIKeyUXKRIDGUVUHKJE-UHFFFAOYSA-N
XLogP4.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]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 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The IUPAC name of 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline (CID 63478416) is 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The canonical SMILES for 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline is Clc1ccc(Br)cc1NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The InChIKey is UXKRIDGUVUHKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c17-13-4-7-15(18)16(10-13)19-11-12-2-5-14(6-3-12)21-9-1-8-20-21/h1-10,19H,11H2.
What are the key properties of 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline has a molecular weight of 362.66 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 63478416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).