2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one

C16H13ClN2O — CID 28829622

IUPAC2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one
SMILESCc1ccc(N2N=C(c3ccccc3)CC2=O)cc1Cl
InChIInChI=1S/C16H13ClN2O/c1-11-7-8-13(9-14(11)17)19-16(20)10-15(18-19)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyDIUSAWZDQWQGMD-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.79
Rot. Bonds2

About 2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one

2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one (PubChem CID 28829622) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one
PubChem CID28829622
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one
SMILESCc1ccc(N2N=C(c3ccccc3)CC2=O)cc1Cl
InChIInChI=1S/C16H13ClN2O/c1-11-7-8-13(9-14(11)17)19-16(20)10-15(18-19)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyDIUSAWZDQWQGMD-UHFFFAOYSA-N
XLogP3.79
TPSA32.67 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-5-propan-2-yl-4H-pyrazol-3-one
CID 23125339
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CID 3609926
2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
CID 43835715
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16593661
5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one
CID 139222398
5-chloro-2-phenyl-4H-pyrazol-3-one
CID 18922596
1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
CID 17454351
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-4H-pyrazol-3-one
CID 2869564
4-amino-2-(3-chloro-4-methylphenyl)-5-phenyl-1H-pyrazol-3-one
CID 103994908
2-(3-chloro-4-methylphenyl)-4-ethyl-5-methyl-4H-pyrazol-3-one
CID 60646276
N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43064051
(1S,2S,6R,7S)-4-(3-chloro-4-methylphenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 98118274

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one (CID 28829622) is 2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one is Cc1ccc(N2N=C(c3ccccc3)CC2=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one?
The InChIKey is DIUSAWZDQWQGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-7-8-13(9-14(11)17)19-16(20)10-15(18-19)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one?
2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one has a molecular weight of 284.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 28829622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).