2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine

C16H14ClN3 — CID 2356925

IUPAC2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine
SMILESCc1cc(Nc2ccccc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H14ClN3/c1-12-10-16(18-14-7-3-2-4-8-14)20(19-12)15-9-5-6-13(17)11-15/h2-11,18H,1H3
InChIKeyPRVLPXAOEPGYCT-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.58
Rot. Bonds3

About 2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine

2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine (PubChem CID 2356925) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine
PubChem CID2356925
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine
SMILESCc1cc(Nc2ccccc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H14ClN3/c1-12-10-16(18-14-7-3-2-4-8-14)20(19-12)15-9-5-6-13(17)11-15/h2-11,18H,1H3
InChIKeyPRVLPXAOEPGYCT-UHFFFAOYSA-N
XLogP4.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
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
N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517858
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine (CID 2356925) is 2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine is Cc1cc(Nc2ccccc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine?
The InChIKey is PRVLPXAOEPGYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-12-10-16(18-14-7-3-2-4-8-14)20(19-12)15-9-5-6-13(17)11-15/h2-11,18H,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine?
2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine has a molecular weight of 283.76 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine is sourced from PubChem (CID 2356925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).