5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid

C7H10N2O3 — CID 57085020

IUPAC5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid
SMILESCCc1[nH]n(C)c(=O)c1C(=O)O
InChIInChI=1S/C7H10N2O3/c1-3-4-5(7(11)12)6(10)9(2)8-4/h8H,3H2,1-2H3,(H,11,12)
InChIKeyWSJDIBXQGNVYLM-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.03
Rot. Bonds2

About 5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid

5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid (PubChem CID 57085020) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid
PubChem CID57085020
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid
SMILESCCc1[nH]n(C)c(=O)c1C(=O)O
InChIInChI=1S/C7H10N2O3/c1-3-4-5(7(11)12)6(10)9(2)8-4/h8H,3H2,1-2H3,(H,11,12)
InChIKeyWSJDIBXQGNVYLM-UHFFFAOYSA-N
XLogP-0.03
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid (CID 57085020) is 5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid is CCc1[nH]n(C)c(=O)c1C(=O)O.
What is the InChIKey of 5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid?
The InChIKey is WSJDIBXQGNVYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-4-5(7(11)12)6(10)9(2)8-4/h8H,3H2,1-2H3,(H,11,12).
What are the key properties of 5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid?
5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 57085020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).