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

C19H19ClN2O3 — CID 3343939

IUPAC(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone
SMILESCCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2cccc(OC)c2)C1
InChIInChI=1S/C19H19ClN2O3/c1-3-16-12-19(24,14-5-4-6-17(11-14)25-2)22(21-16)18(23)13-7-9-15(20)10-8-13/h4-11,24H,3,12H2,1-2H3
InChIKeyAJUVAYBDSXFPNQ-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.81
Rot. Bonds4

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

(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3343939) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone
PubChem CID3343939
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone
SMILESCCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2cccc(OC)c2)C1
InChIInChI=1S/C19H19ClN2O3/c1-3-16-12-19(24,14-5-4-6-17(11-14)25-2)22(21-16)18(23)13-7-9-15(20)10-8-13/h4-11,24H,3,12H2,1-2H3
InChIKeyAJUVAYBDSXFPNQ-UHFFFAOYSA-N
XLogP3.81
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)-[5-(4-chlorophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone
CID 3107201
ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methoxybenzoyl)-4H-pyrazole-3-carboxylate
CID 15944881
(4-chlorophenyl)-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 713907
[(5R)-3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
CID 713961
[3-ethyl-5-hydroxy-5-(4-methoxyphenyl)-4H-pyrazol-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 3115691
[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 829909
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 2869410
[5-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 3947386
ethyl 2-(3-chlorobenzoyl)-5-ethyl-3-hydroxy-4H-pyrazole-3-carboxylate
CID 23962527
[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone
CID 3147098
methyl (5R)-1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate
CID 1368104
[(5R)-5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-hydroxyphenyl)methanone
CID 780777

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone (CID 3343939) is (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone is CCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2cccc(OC)c2)C1.
What is the InChIKey of (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is AJUVAYBDSXFPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-3-16-12-19(24,14-5-4-6-17(11-14)25-2)22(21-16)18(23)13-7-9-15(20)10-8-13/h4-11,24H,3,12H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone?
(4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 358.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-ethyl-5-hydroxy-5-(3-methoxyphenyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3343939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).