2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone

C19H15ClN2O4 — CID 2116204

IUPAC2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone
SMILESCc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C19H15ClN2O4/c1-12-2-7-17(23)16(8-12)19(25)13-9-21-22(10-13)18(24)11-26-15-5-3-14(20)4-6-15/h2-10,23H,11H2,1H3
InChIKeyRCNNKOQWZGQKAI-UHFFFAOYSA-N
MW370.79 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone (PubChem CID 2116204) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone
PubChem CID2116204
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone
SMILESCc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C19H15ClN2O4/c1-12-2-7-17(23)16(8-12)19(25)13-9-21-22(10-13)18(24)11-26-15-5-3-14(20)4-6-15/h2-10,23H,11H2,1H3
InChIKeyRCNNKOQWZGQKAI-UHFFFAOYSA-N
XLogP3.50
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone (CID 2116204) is 2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone is Cc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone?
The InChIKey is RCNNKOQWZGQKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-12-2-7-17(23)16(8-12)19(25)13-9-21-22(10-13)18(24)11-26-15-5-3-14(20)4-6-15/h2-10,23H,11H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone has a molecular weight of 370.79 g/mol, XLogP of 3.50, 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-hydroxy-5-methylbenzoyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 2116204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).