5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid

C14H14N2O4 — CID 82361151

IUPAC5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1ccccc1C(=O)OC
InChIInChI=1S/C14H14N2O4/c1-3-11-10(13(17)18)8-15-16(11)12-7-5-4-6-9(12)14(19)20-2/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyIGVFTNZUDHVHLQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.92
Rot. Bonds4

About 5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid

5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid (PubChem CID 82361151) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
PubChem CID82361151
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1ccccc1C(=O)OC
InChIInChI=1S/C14H14N2O4/c1-3-11-10(13(17)18)8-15-16(11)12-7-5-4-6-9(12)14(19)20-2/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyIGVFTNZUDHVHLQ-UHFFFAOYSA-N
XLogP1.92
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid (CID 82361151) is 5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid is CCc1c(C(=O)O)cnn1-c1ccccc1C(=O)OC.
What is the InChIKey of 5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is IGVFTNZUDHVHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-11-10(13(17)18)8-15-16(11)12-7-5-4-6-9(12)14(19)20-2/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid?
5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).