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

C15H11BrClN3 — CID 62829467

IUPAC4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccccc2Cl)c1-c1ccccc1Br
InChIInChI=1S/C15H11BrClN3/c16-11-7-3-1-5-9(11)13-14(19-20-15(13)18)10-6-2-4-8-12(10)17/h1-8H,(H3,18,19,20)
InChIKeyQVAFNKKUCGRSNP-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.74
Rot. Bonds2

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

4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine (PubChem CID 62829467) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
PubChem CID62829467
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC Name4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccccc2Cl)c1-c1ccccc1Br
InChIInChI=1S/C15H11BrClN3/c16-11-7-3-1-5-9(11)13-14(19-20-15(13)18)10-6-2-4-8-12(10)17/h1-8H,(H3,18,19,20)
InChIKeyQVAFNKKUCGRSNP-UHFFFAOYSA-N
XLogP4.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine (CID 62829467) is 4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccccc2Cl)c1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is QVAFNKKUCGRSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c16-11-7-3-1-5-9(11)13-14(19-20-15(13)18)10-6-2-4-8-12(10)17/h1-8H,(H3,18,19,20).
What are the key properties of 4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine?
4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 348.63 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62829467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).