1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine

C10H8BrCl2N3 — CID 83230518

IUPAC1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine
SMILESNc1c(Cl)cnn1Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H8BrCl2N3/c11-7-3-6(1-2-8(7)12)5-16-10(14)9(13)4-15-16/h1-4H,5,14H2
InChIKeyQFVPIERPWJKJHC-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.58
Rot. Bonds2

About 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine

1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine (PubChem CID 83230518) has the molecular formula C10H8BrCl2N3 and a molecular weight of 321.01 g/mol. Its IUPAC name is 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine
PubChem CID83230518
Molecular FormulaC10H8BrCl2N3
Molecular Weight321.01 g/mol
Exact Mass318.93
IUPAC Name1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine
SMILESNc1c(Cl)cnn1Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H8BrCl2N3/c11-7-3-6(1-2-8(7)12)5-16-10(14)9(13)4-15-16/h1-4H,5,14H2
InChIKeyQFVPIERPWJKJHC-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine 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 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine?
The IUPAC name of 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine (CID 83230518) is 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine.
What is the SMILES notation for 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine?
The canonical SMILES for 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine is Nc1c(Cl)cnn1Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine?
The InChIKey is QFVPIERPWJKJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2N3/c11-7-3-6(1-2-8(7)12)5-16-10(14)9(13)4-15-16/h1-4H,5,14H2.
What are the key properties of 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine?
1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine has a molecular weight of 321.01 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine is sourced from PubChem (CID 83230518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).