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

C16H13BrClN3 — CID 81110725

IUPAC5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(Br)c(-c2[nH]nc(N)c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H13BrClN3/c1-9-2-7-13(17)12(8-9)15-14(16(19)21-20-15)10-3-5-11(18)6-4-10/h2-8H,1H3,(H3,19,20,21)
InChIKeyWMSWATCKJLCWFI-UHFFFAOYSA-N
MW362.66 g/mol
LogP5.05
Rot. Bonds2

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

5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine (PubChem CID 81110725) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
PubChem CID81110725
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(Br)c(-c2[nH]nc(N)c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H13BrClN3/c1-9-2-7-13(17)12(8-9)15-14(16(19)21-20-15)10-3-5-11(18)6-4-10/h2-8H,1H3,(H3,19,20,21)
InChIKeyWMSWATCKJLCWFI-UHFFFAOYSA-N
XLogP5.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.66
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine (CID 81110725) is 5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine is Cc1ccc(Br)c(-c2[nH]nc(N)c2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is WMSWATCKJLCWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c1-9-2-7-13(17)12(8-9)15-14(16(19)21-20-15)10-3-5-11(18)6-4-10/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine?
5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 362.66 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81110725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).