2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one

C16H13ClN2O — CID 2766656

IUPAC2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1-c1ccccc1
InChIInChI=1S/C16H13ClN2O/c1-11-15(12-6-3-2-4-7-12)16(20)19(18-11)14-9-5-8-13(17)10-14/h2-10,18H,1H3
InChIKeyQJRVPZGAPYYFRW-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.79
Rot. Bonds2

About 2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one

2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one (PubChem CID 2766656) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one
PubChem CID2766656
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1-c1ccccc1
InChIInChI=1S/C16H13ClN2O/c1-11-15(12-6-3-2-4-7-12)16(20)19(18-11)14-9-5-8-13(17)10-14/h2-10,18H,1H3
InChIKeyQJRVPZGAPYYFRW-UHFFFAOYSA-N
XLogP3.79
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-Chlorophenyl)benzamide
CID 95833
3'-Chloro-M-toluanilide
CID 531963
(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenylmethanone
CID 354929
3-[(3-chlorophenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539457
4-(3-chlorophenyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 2766673
N-(3-chlorophenyl)-4-methylbenzamide
CID 531828
3-(2-chlorophenyl)-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539452
3-(4-chlorophenyl)-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539455
3-(2-chlorophenyl)-4-[(3-chlorophenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539458
3-(4-chlorophenyl)-4-[(3-chlorophenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539463
4-(4-Chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide sulfate salt (12f)
CID 77014310
N-(3-chlorophenyl)-2-phenylacetamide
CID 307344

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one (CID 2766656) is 2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1-c1ccccc1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
The InChIKey is QJRVPZGAPYYFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-15(12-6-3-2-4-7-12)16(20)19(18-11)14-9-5-8-13(17)10-14/h2-10,18H,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one has a molecular weight of 284.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-4-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 2766656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).