4-(3-bromophenyl)-1H-pyrazol-5-amine

C9H8BrN3 — CID 42580031

IUPAC4-(3-bromophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(Br)c1
InChIInChI=1S/C9H8BrN3/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChIKeyYHVUISAHXAWXIC-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.42
Rot. Bonds1

About 4-(3-bromophenyl)-1H-pyrazol-5-amine

4-(3-bromophenyl)-1H-pyrazol-5-amine (PubChem CID 42580031) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-1H-pyrazol-5-amine
PubChem CID42580031
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name4-(3-bromophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(Br)c1
InChIInChI=1S/C9H8BrN3/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChIKeyYHVUISAHXAWXIC-UHFFFAOYSA-N
XLogP2.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromophenyl)-1H-pyrazol-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 4-(3-bromophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-1H-pyrazol-5-amine (CID 42580031) is 4-(3-bromophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-1H-pyrazol-5-amine?
The InChIKey is YHVUISAHXAWXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13).
What are the key properties of 4-(3-bromophenyl)-1H-pyrazol-5-amine?
4-(3-bromophenyl)-1H-pyrazol-5-amine has a molecular weight of 238.09 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 42580031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).