1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine

C15H11BrClN3 — CID 83222618

IUPAC1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccccc2Br)nc1-c1ccccc1Cl
InChIInChI=1S/C15H11BrClN3/c16-11-6-2-4-8-14(11)20-9-13(18)15(19-20)10-5-1-3-7-12(10)17/h1-9H,18H2
InChIKeyYDTOCOSSEMLLHE-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.54
Rot. Bonds2

About 1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine

1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine (PubChem CID 83222618) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine
PubChem CID83222618
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC Name1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccccc2Br)nc1-c1ccccc1Cl
InChIInChI=1S/C15H11BrClN3/c16-11-6-2-4-8-14(11)20-9-13(18)15(19-20)10-5-1-3-7-12(10)17/h1-9H,18H2
InChIKeyYDTOCOSSEMLLHE-UHFFFAOYSA-N
XLogP4.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-4-amine
CID 83216895
1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine
CID 83222311
1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine
CID 114082882
1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine
CID 83203919
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83204218
3-(2,5-dichlorophenyl)-1-(2-fluorophenyl)pyrazol-4-amine
CID 83203297
3-(2-bromophenyl)-1-(4-bromophenyl)pyrazol-4-amine
CID 83223081
3-(2-bromophenyl)-1-(3-bromophenyl)pyrazol-4-amine
CID 83222386
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83204490
1-(2-bromophenyl)-4-methylpyrazol-3-amine
CID 62677549
1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine
CID 83222763
3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
CID 83217910

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine (CID 83222618) is 1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine is Nc1cn(-c2ccccc2Br)nc1-c1ccccc1Cl.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine?
The InChIKey is YDTOCOSSEMLLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c16-11-6-2-4-8-14(11)20-9-13(18)15(19-20)10-5-1-3-7-12(10)17/h1-9H,18H2.
What are the key properties of 1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine?
1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine has a molecular weight of 348.63 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-chlorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83222618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).