1-(2-bromophenyl)-5-chloropyrazol-4-amine

C9H7BrClN3 — CID 115050693

IUPAC1-(2-bromophenyl)-5-chloropyrazol-4-amine
SMILESNc1cnn(-c2ccccc2Br)c1Cl
InChIInChI=1S/C9H7BrClN3/c10-6-3-1-2-4-8(6)14-9(11)7(12)5-13-14/h1-5H,12H2
InChIKeyQHCLQQDGZOETDO-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.87
Rot. Bonds1

About 1-(2-bromophenyl)-5-chloropyrazol-4-amine

1-(2-bromophenyl)-5-chloropyrazol-4-amine (PubChem CID 115050693) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-chloropyrazol-4-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-chloropyrazol-4-amine
PubChem CID115050693
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name1-(2-bromophenyl)-5-chloropyrazol-4-amine
SMILESNc1cnn(-c2ccccc2Br)c1Cl
InChIInChI=1S/C9H7BrClN3/c10-6-3-1-2-4-8(6)14-9(11)7(12)5-13-14/h1-5H,12H2
InChIKeyQHCLQQDGZOETDO-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-chloropyrazol-4-amine?
The IUPAC name of 1-(2-bromophenyl)-5-chloropyrazol-4-amine (CID 115050693) is 1-(2-bromophenyl)-5-chloropyrazol-4-amine.
What is the SMILES notation for 1-(2-bromophenyl)-5-chloropyrazol-4-amine?
The canonical SMILES for 1-(2-bromophenyl)-5-chloropyrazol-4-amine is Nc1cnn(-c2ccccc2Br)c1Cl.
What is the InChIKey of 1-(2-bromophenyl)-5-chloropyrazol-4-amine?
The InChIKey is QHCLQQDGZOETDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-6-3-1-2-4-8(6)14-9(11)7(12)5-13-14/h1-5H,12H2.
What are the key properties of 1-(2-bromophenyl)-5-chloropyrazol-4-amine?
1-(2-bromophenyl)-5-chloropyrazol-4-amine has a molecular weight of 272.53 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-chloropyrazol-4-amine is sourced from PubChem (CID 115050693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).