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

C17H15ClN2O2 — CID 2868929

IUPAC(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccccc2Cl)C(O)(c2ccccc2)C1
InChIInChI=1S/C17H15ClN2O2/c1-12-11-17(22,13-7-3-2-4-8-13)20(19-12)16(21)14-9-5-6-10-15(14)18/h2-10,22H,11H2,1H3
InChIKeyWEFAVDMFIBIUGY-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.41
Rot. Bonds2

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

(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone (PubChem CID 2868929) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
PubChem CID2868929
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccccc2Cl)C(O)(c2ccccc2)C1
InChIInChI=1S/C17H15ClN2O2/c1-12-11-17(22,13-7-3-2-4-8-13)20(19-12)16(21)14-9-5-6-10-15(14)18/h2-10,22H,11H2,1H3
InChIKeyWEFAVDMFIBIUGY-UHFFFAOYSA-N
XLogP3.41
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.41
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-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-(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
2-Pyrazolin-5-ol, 1-(2-fluorobenzoyl)-3-trifluoromethyl-5-phenyl-
CID 579539
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

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone (CID 2868929) is (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone is CC1=NN(C(=O)c2ccccc2Cl)C(O)(c2ccccc2)C1.
What is the InChIKey of (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The InChIKey is WEFAVDMFIBIUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12-11-17(22,13-7-3-2-4-8-13)20(19-12)16(21)14-9-5-6-10-15(14)18/h2-10,22H,11H2,1H3.
What are the key properties of (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone has a molecular weight of 314.77 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 2868929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).