(2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone

C14H14Cl2N2O3 — CID 14622785

IUPAC(2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone
SMILESCCOCn1nccc1C(=O)c1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2O3/c1-3-21-8-18-10(6-7-17-18)14(19)9-4-5-11(20-2)13(16)12(9)15/h4-7H,3,8H2,1-2H3
InChIKeyRAXVXYJGOJQQGS-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.42
Rot. Bonds6

About (2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone

(2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone (PubChem CID 14622785) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is (2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone
PubChem CID14622785
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name(2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone
SMILESCCOCn1nccc1C(=O)c1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2O3/c1-3-21-8-18-10(6-7-17-18)14(19)9-4-5-11(20-2)13(16)12(9)15/h4-7H,3,8H2,1-2H3
InChIKeyRAXVXYJGOJQQGS-UHFFFAOYSA-N
XLogP3.42
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone?
The IUPAC name of (2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone (CID 14622785) is (2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone?
The canonical SMILES for (2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone is CCOCn1nccc1C(=O)c1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of (2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone?
The InChIKey is RAXVXYJGOJQQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-3-21-8-18-10(6-7-17-18)14(19)9-4-5-11(20-2)13(16)12(9)15/h4-7H,3,8H2,1-2H3.
What are the key properties of (2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone?
(2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone has a molecular weight of 329.18 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-4-methoxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 14622785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).