(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone

C19H19ClN2O2 — CID 3107186

IUPAC(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone
SMILESCCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccc(C)cc2)C1
InChIInChI=1S/C19H19ClN2O2/c1-3-17-12-19(24,15-8-4-13(2)5-9-15)22(21-17)18(23)14-6-10-16(20)11-7-14/h4-11,24H,3,12H2,1-2H3
InChIKeyUCYWDXGWUDLHAW-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.11
Rot. Bonds3

About (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone

(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3107186) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone
PubChem CID3107186
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone
SMILESCCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccc(C)cc2)C1
InChIInChI=1S/C19H19ClN2O2/c1-3-17-12-19(24,15-8-4-13(2)5-9-15)22(21-17)18(23)14-6-10-16(20)11-7-14/h4-11,24H,3,12H2,1-2H3
InChIKeyUCYWDXGWUDLHAW-UHFFFAOYSA-N
XLogP4.11
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2845040
(4-Chloro-phenyl)-[3-(4-chloro-phenyl)-5-hydroxy-5-methyl-4,5-dihydro-pyrazol-1-yl]-methanone
CID 3100400
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-(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-phenylethanone
CID 2857573
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester
CID 2858902
methyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methylbenzoyl)-4H-pyrazole-3-carboxylate
CID 2884425
ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(phenylacetyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 2884761
(4-Chloro-phenyl)-(3-ethyl-5-hydroxy-5-phenyl-4,5-dihydro-pyrazol-1-yl)-methanone
CID 2857540
(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2868929
1-(3-Chlorobenzoyl)-5-(4-chlorophenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 587369
(4Z)-2-(4-chlorobenzoyl)-4-[(4-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one
CID 136002188

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone (CID 3107186) is (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone is CCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccc(C)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is UCYWDXGWUDLHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-3-17-12-19(24,15-8-4-13(2)5-9-15)22(21-17)18(23)14-6-10-16(20)11-7-14/h4-11,24H,3,12H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone?
(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 342.83 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3107186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).