1-(3-bromo-4-chlorophenyl)pyrazol-3-amine

C9H7BrClN3 — CID 102942955

IUPAC1-(3-bromo-4-chlorophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C9H7BrClN3/c10-7-5-6(1-2-8(7)11)14-4-3-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyATMCGDCXRJFYJM-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.87
Rot. Bonds1

About 1-(3-bromo-4-chlorophenyl)pyrazol-3-amine

1-(3-bromo-4-chlorophenyl)pyrazol-3-amine (PubChem CID 102942955) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)pyrazol-3-amine
PubChem CID102942955
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name1-(3-bromo-4-chlorophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C9H7BrClN3/c10-7-5-6(1-2-8(7)11)14-4-3-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyATMCGDCXRJFYJM-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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Related Compounds

1-(5-bromo-2-chlorophenyl)pyrazol-3-amine
CID 102942859
1-(2-chloro-4-pyridinyl)pyrazol-3-amine
CID 134589171
1-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 82392973
1-(3-chloro-5-fluorophenyl)pyrazol-3-amine
CID 107371299
4-(3-aminopyrazol-1-yl)benzenesulfonamide
CID 61176767
1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine
CID 102943043
1-(2-chloro-4-iodophenyl)pyrazol-3-amine
CID 107608588
1-[1-(3-bromo-4-chlorophenyl)triazol-4-yl]ethanamine
CID 114419369
1-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 102942591
1-(2,3-dichlorophenyl)pyrazol-3-amine
CID 70210404
1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone
CID 90435469
1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 114706646

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)pyrazol-3-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)pyrazol-3-amine (CID 102942955) is 1-(3-bromo-4-chlorophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)pyrazol-3-amine is Nc1ccn(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)pyrazol-3-amine?
The InChIKey is ATMCGDCXRJFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-7-5-6(1-2-8(7)11)14-4-3-9(12)13-14/h1-5H,(H2,12,13).
What are the key properties of 1-(3-bromo-4-chlorophenyl)pyrazol-3-amine?
1-(3-bromo-4-chlorophenyl)pyrazol-3-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-(3-bromo-4-chlorophenyl)pyrazol-3-amine is sourced from PubChem (CID 102942955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).