2-[(4-bromophenyl)methyl]pyrazol-3-amine

C10H10BrN3 — CID 4962710

IUPAC2-[(4-bromophenyl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3/c11-9-3-1-8(2-4-9)7-14-10(12)5-6-13-14/h1-6H,7,12H2
InChIKeyVBGXXWGGAZDXFZ-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.28
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]pyrazol-3-amine

2-[(4-bromophenyl)methyl]pyrazol-3-amine (PubChem CID 4962710) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]pyrazol-3-amine
PubChem CID4962710
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name2-[(4-bromophenyl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3/c11-9-3-1-8(2-4-9)7-14-10(12)5-6-13-14/h1-6H,7,12H2
InChIKeyVBGXXWGGAZDXFZ-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]pyrazol-3-amine (CID 4962710) is 2-[(4-bromophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]pyrazol-3-amine is Nc1ccnn1Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]pyrazol-3-amine?
The InChIKey is VBGXXWGGAZDXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-9-3-1-8(2-4-9)7-14-10(12)5-6-13-14/h1-6H,7,12H2.
What are the key properties of 2-[(4-bromophenyl)methyl]pyrazol-3-amine?
2-[(4-bromophenyl)methyl]pyrazol-3-amine has a molecular weight of 252.12 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 4962710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).