1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone

C19H14Cl2N2O5 — CID 2116195

IUPAC1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)n1cc(C(=O)c2cc(Cl)cc(Cl)c2O)cn1
InChIInChI=1S/C19H14Cl2N2O5/c1-27-15-4-2-3-5-16(15)28-10-17(24)23-9-11(8-22-23)18(25)13-6-12(20)7-14(21)19(13)26/h2-9,26H,10H2,1H3
InChIKeyFAIBIPUUIZOJSS-UHFFFAOYSA-N
MW421.24 g/mol
LogP3.85
Rot. Bonds6

About 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone

1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 2116195) has the molecular formula C19H14Cl2N2O5 and a molecular weight of 421.24 g/mol. Its IUPAC name is 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID2116195
Molecular FormulaC19H14Cl2N2O5
Molecular Weight421.24 g/mol
Exact Mass420.03
IUPAC Name1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)n1cc(C(=O)c2cc(Cl)cc(Cl)c2O)cn1
InChIInChI=1S/C19H14Cl2N2O5/c1-27-15-4-2-3-5-16(15)28-10-17(24)23-9-11(8-22-23)18(25)13-6-12(20)7-14(21)19(13)26/h2-9,26H,10H2,1H3
InChIKeyFAIBIPUUIZOJSS-UHFFFAOYSA-N
XLogP3.85
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 2116195) is 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)n1cc(C(=O)c2cc(Cl)cc(Cl)c2O)cn1.
What is the InChIKey of 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone?
The InChIKey is FAIBIPUUIZOJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O5/c1-27-15-4-2-3-5-16(15)28-10-17(24)23-9-11(8-22-23)18(25)13-6-12(20)7-14(21)19(13)26/h2-9,26H,10H2,1H3.
What are the key properties of 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 421.24 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 2116195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).