[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone

C18H17ClN2O2 — CID 3113629

IUPAC[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone
SMILESCC1=NN(C(=O)c2ccccc2C)C(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17ClN2O2/c1-12-5-3-4-6-16(12)17(22)21-18(23,11-13(2)20-21)14-7-9-15(19)10-8-14/h3-10,23H,11H2,1-2H3
InChIKeyUACMOMUELXZGGL-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.72
Rot. Bonds2

About [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone

[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone (PubChem CID 3113629) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone
PubChem CID3113629
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone
SMILESCC1=NN(C(=O)c2ccccc2C)C(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17ClN2O2/c1-12-5-3-4-6-16(12)17(22)21-18(23,11-13(2)20-21)14-7-9-15(19)10-8-14/h3-10,23H,11H2,1-2H3
InChIKeyUACMOMUELXZGGL-UHFFFAOYSA-N
XLogP3.72
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.72
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
(4-Chloro-phenyl)-(3-ethyl-5-hydroxy-5-p-tolyl-4,5-dihydro-pyrazol-1-yl)-methanone
CID 3107186
5-(4-chlorophenyl)-1-(2-fluorobenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3113628
1-(5-hydroxy-3-methyl-5-phenyl-4H-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)-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 2884425
ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(phenylacetyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 2884761
1-benzoyl-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2845036
(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

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone (CID 3113629) is [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone is CC1=NN(C(=O)c2ccccc2C)C(O)(c2ccc(Cl)cc2)C1.
What is the InChIKey of [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
The InChIKey is UACMOMUELXZGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12-5-3-4-6-16(12)17(22)21-18(23,11-13(2)20-21)14-7-9-15(19)10-8-14/h3-10,23H,11H2,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone has a molecular weight of 328.80 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 3113629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).