5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one

C17H16N2O — CID 11807549

IUPAC5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one
SMILESCc1ccc(C2=NN(c3ccccc3)C(=O)C2)cc1C
InChIInChI=1S/C17H16N2O/c1-12-8-9-14(10-13(12)2)16-11-17(20)19(18-16)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
InChIKeyNMGOGHSQVOFBKV-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.44
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one

5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one (PubChem CID 11807549) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one
PubChem CID11807549
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one
SMILESCc1ccc(C2=NN(c3ccccc3)C(=O)C2)cc1C
InChIInChI=1S/C17H16N2O/c1-12-8-9-14(10-13(12)2)16-11-17(20)19(18-16)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
InChIKeyNMGOGHSQVOFBKV-UHFFFAOYSA-N
XLogP3.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one
CID 28829622
5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one
CID 139222398
2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid
CID 166249485
5-chloro-2-phenyl-4H-pyrazol-3-one
CID 18922596
5-(1,1-dideuterioethyl)-2-phenyl-4H-pyrazol-3-one
CID 59366250
(5-oxo-1-phenyl-4H-pyrazol-3-yl) formate
CID 90178800
2-[3-(aminomethyl)phenyl]-5-methyl-4H-pyrazol-3-one
CID 82506511
2-(4-methylphenyl)-5-propan-2-yl-4H-pyrazol-3-one
CID 43084359
2-(3-chloro-4-methylphenyl)-5-propan-2-yl-4H-pyrazol-3-one
CID 23125339
2-phenyl-5-pyrrolidin-1-yl-4H-pyrazol-3-one
CID 70700769
2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzoic acid
CID 3609926
5-methyl-2-(3-methylsulfanylphenyl)-4H-pyrazol-3-one
CID 10214499

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one (CID 11807549) is 5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one is Cc1ccc(C2=NN(c3ccccc3)C(=O)C2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one?
The InChIKey is NMGOGHSQVOFBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-8-9-14(10-13(12)2)16-11-17(20)19(18-16)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one?
5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one has a molecular weight of 264.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 11807549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).