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

C15H10BrCl2N3 — CID 43805557

IUPAC5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Br)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10BrCl2N3/c16-9-3-6-11(12(18)7-9)14-13(15(19)21-20-14)8-1-4-10(17)5-2-8/h1-7H,(H3,19,20,21)
InChIKeyZKXSDYUWYLAXSY-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.40
Rot. Bonds2

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

5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine (PubChem CID 43805557) has the molecular formula C15H10BrCl2N3 and a molecular weight of 383.08 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
PubChem CID43805557
Molecular FormulaC15H10BrCl2N3
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Br)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10BrCl2N3/c16-9-3-6-11(12(18)7-9)14-13(15(19)21-20-14)8-1-4-10(17)5-2-8/h1-7H,(H3,19,20,21)
InChIKeyZKXSDYUWYLAXSY-UHFFFAOYSA-N
XLogP5.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 81110725
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1H-pyrazol-3-amine
CID 106687498
4-(3-bromophenyl)-5-(4-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 107988589
4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 81454272
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830136
5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107955139
5-(5-bromo-2-methylphenyl)-4-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 65308168
5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine
CID 43805552
5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521302
4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821028
4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine
CID 79754898
5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62828722

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine (CID 43805557) is 5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(Br)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is ZKXSDYUWYLAXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3/c16-9-3-6-11(12(18)7-9)14-13(15(19)21-20-14)8-1-4-10(17)5-2-8/h1-7H,(H3,19,20,21).
What are the key properties of 5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 383.08 g/mol, XLogP of 5.40, 2 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)-4-(4-chlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 43805557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).