2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone

C18H13ClN2O4 — CID 2116206

IUPAC2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone
SMILESO=C(c1cnn(C(=O)COc2ccc(Cl)cc2)c1)c1ccccc1O
InChIInChI=1S/C18H13ClN2O4/c19-13-5-7-14(8-6-13)25-11-17(23)21-10-12(9-20-21)18(24)15-3-1-2-4-16(15)22/h1-10,22H,11H2
InChIKeyUAABJNOMUGIGNW-UHFFFAOYSA-N
MW356.77 g/mol
LogP3.19
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone (PubChem CID 2116206) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone
PubChem CID2116206
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC Name2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone
SMILESO=C(c1cnn(C(=O)COc2ccc(Cl)cc2)c1)c1ccccc1O
InChIInChI=1S/C18H13ClN2O4/c19-13-5-7-14(8-6-13)25-11-17(23)21-10-12(9-20-21)18(24)15-3-1-2-4-16(15)22/h1-10,22H,11H2
InChIKeyUAABJNOMUGIGNW-UHFFFAOYSA-N
XLogP3.19
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-Fluoro-2-hydroxy-benzoyl)pyrazol-1-yl]-(2-furyl)methanone
CID 7998008
4-chloro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 11494161
1-[4-(5-Fluoro-2-hydroxy-benzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone
CID 2116207
[4-(2-Hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 2116213
4-[2-[4-(3,5-Dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-oxoethoxy]benzonitrile
CID 3319388
[1-(Furan-2-carbonyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
CID 2537629
[4-(3,5-Dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone
CID 4804078
1-[4-(3,5-Dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 2116195
2-(4-Chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone
CID 2116204
2-[2-[4-(2-Hydroxy-5-methylbenzoyl)pyrazol-1-yl]-2-oxoethoxy]benzonitrile
CID 2116210
1-[4-(5-Chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone
CID 2439958
[4-(5-Chloro-2-hydroxybenzoyl)pyrazol-1-yl]-cyclopropylmethanone
CID 2439870

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone (CID 2116206) is 2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone is O=C(c1cnn(C(=O)COc2ccc(Cl)cc2)c1)c1ccccc1O.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone?
The InChIKey is UAABJNOMUGIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c19-13-5-7-14(8-6-13)25-11-17(23)21-10-12(9-20-21)18(24)15-3-1-2-4-16(15)22/h1-10,22H,11H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone has a molecular weight of 356.77 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(2-hydroxybenzoyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 2116206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).