1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone

C18H18N2O2 — CID 2857573

IUPAC1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone
SMILESCC1=NN(C(=O)Cc2ccccc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C18H18N2O2/c1-14-13-18(22,16-10-6-3-7-11-16)20(19-14)17(21)12-15-8-4-2-5-9-15/h2-11,22H,12-13H2,1H3
InChIKeyFSVQQIUGEQJKGY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.68
Rot. Bonds3

About 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone

1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone (PubChem CID 2857573) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone
PubChem CID2857573
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone
SMILESCC1=NN(C(=O)Cc2ccccc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C18H18N2O2/c1-14-13-18(22,16-10-6-3-7-11-16)20(19-14)17(21)12-15-8-4-2-5-9-15/h2-11,22H,12-13H2,1H3
InChIKeyFSVQQIUGEQJKGY-UHFFFAOYSA-N
XLogP2.68
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone
CID 3098837
(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2845040
[5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 2859494
(4-Chloro-phenyl)-(3-ethyl-5-hydroxy-5-p-tolyl-4,5-dihydro-pyrazol-1-yl)-methanone
CID 3107186
[5-(4-fluorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 3113607
5-(4-chlorophenyl)-1-(2-fluorobenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3113628
[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone
CID 3113629
1-(4-bromobenzoyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 2884136
1-[(benzylthio)acetyl]-5-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 2954127
1-(4-bromobenzoyl)-3-ethyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3107190
(3-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone
CID 3115676
1-(2-bromobenzoyl)-5-(4-bromophenyl)-3-ethyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3115677

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone?
The IUPAC name of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone (CID 2857573) is 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone is CC1=NN(C(=O)Cc2ccccc2)C(O)(c2ccccc2)C1.
What is the InChIKey of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone?
The InChIKey is FSVQQIUGEQJKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-13-18(22,16-10-6-3-7-11-16)20(19-14)17(21)12-15-8-4-2-5-9-15/h2-11,22H,12-13H2,1H3.
What are the key properties of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone?
1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone has a molecular weight of 294.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-phenylethanone is sourced from PubChem (CID 2857573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).