5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine

C9H7BrClN3 — CID 43805552

IUPAC5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(Br)cc2Cl)[nH]n1
InChIInChI=1S/C9H7BrClN3/c10-5-1-2-6(7(11)3-5)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
InChIKeyCDRXGCQKUCRZCX-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.07
Rot. Bonds1

About 5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine

5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine (PubChem CID 43805552) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine
PubChem CID43805552
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(Br)cc2Cl)[nH]n1
InChIInChI=1S/C9H7BrClN3/c10-5-1-2-6(7(11)3-5)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
InChIKeyCDRXGCQKUCRZCX-UHFFFAOYSA-N
XLogP3.07
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine (CID 43805552) is 5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc(Br)cc2Cl)[nH]n1.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is CDRXGCQKUCRZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-5-1-2-6(7(11)3-5)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14).
What are the key properties of 5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine?
5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 272.53 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 43805552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).