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

C18H17ClN2O2 — CID 2857540

IUPAC(4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone
SMILESCCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C18H17ClN2O2/c1-2-16-12-18(23,14-6-4-3-5-7-14)21(20-16)17(22)13-8-10-15(19)11-9-13/h3-11,23H,2,12H2,1H3
InChIKeyQCJZJNHXGQJFIG-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.80
Rot. Bonds3

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

(4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone (PubChem CID 2857540) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone
PubChem CID2857540
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone
SMILESCCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C18H17ClN2O2/c1-2-16-12-18(23,14-6-4-3-5-7-14)21(20-16)17(22)13-8-10-15(19)11-9-13/h3-11,23H,2,12H2,1H3
InChIKeyQCJZJNHXGQJFIG-UHFFFAOYSA-N
XLogP3.80
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.80
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
ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(phenylacetyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 2884761
1-[(benzylthio)acetyl]-5-(4-chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 2958073
2-Pyrazolin-5-ol, 1-(2-fluorobenzoyl)-3-trifluoromethyl-5-phenyl-
CID 579539

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone (CID 2857540) is (4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone is CCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccccc2)C1.
What is the InChIKey of (4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone?
The InChIKey is QCJZJNHXGQJFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-16-12-18(23,14-6-4-3-5-7-14)21(20-16)17(22)13-8-10-15(19)11-9-13/h3-11,23H,2,12H2,1H3.
What are the key properties of (4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone?
(4-chlorophenyl)-(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)methanone has a molecular weight of 328.80 g/mol, XLogP of 3.80, 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-phenyl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 2857540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).