2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine

C16H13Cl2N3 — CID 2408836

IUPAC2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H13Cl2N3/c1-11-9-16(19-14-7-5-12(17)6-8-14)21(20-11)15-4-2-3-13(18)10-15/h2-10,19H,1H3
InChIKeyVCSUQZLXYTZUSA-UHFFFAOYSA-N
MW318.21 g/mol
LogP5.23
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine

2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine (PubChem CID 2408836) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine
PubChem CID2408836
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H13Cl2N3/c1-11-9-16(19-14-7-5-12(17)6-8-14)21(20-11)15-4-2-3-13(18)10-15/h2-10,19H,1H3
InChIKeyVCSUQZLXYTZUSA-UHFFFAOYSA-N
XLogP5.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.21
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea
CID 5327064
Pyrazolourea, 1a
CID 25210518
N-(3,4-dichlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815052
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 1810630
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
CID 2447447
3-methyl-N,1-diphenyl-1H-pyrazol-5-amine
CID 867748
N-(1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl)-1-phenyl-1H-tetrazol-5-amine
CID 2033394
1-[5-tert-Butyl-2-(4-chloro-phenyl)-2H-pyrazol-3-yl]-3-(2,3-dichloro-phenyl)-urea
CID 9954785

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine (CID 2408836) is 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine is Cc1cc(Nc2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine?
The InChIKey is VCSUQZLXYTZUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-11-9-16(19-14-7-5-12(17)6-8-14)21(20-11)15-4-2-3-13(18)10-15/h2-10,19H,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine?
2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine has a molecular weight of 318.21 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 2408836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).