5-methyl-4H-pyrazole-3-carboxylic acid

C5H6N2O2 — CID 95180514

IUPAC5-methyl-4H-pyrazole-3-carboxylic acid
SMILESCC1=NN=C(C(=O)O)C1
InChIInChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H2,1H3,(H,8,9)
InChIKeySGAQLPZEZVPKFZ-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.29
Rot. Bonds1

About 5-methyl-4H-pyrazole-3-carboxylic acid

5-methyl-4H-pyrazole-3-carboxylic acid (PubChem CID 95180514) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-methyl-4H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4H-pyrazole-3-carboxylic acid
PubChem CID95180514
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-methyl-4H-pyrazole-3-carboxylic acid
SMILESCC1=NN=C(C(=O)O)C1
InChIInChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H2,1H3,(H,8,9)
InChIKeySGAQLPZEZVPKFZ-UHFFFAOYSA-N
XLogP0.29
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4H-pyrazole-3-carboxylic acid (CID 95180514) is 5-methyl-4H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4H-pyrazole-3-carboxylic acid is CC1=NN=C(C(=O)O)C1.
What is the InChIKey of 5-methyl-4H-pyrazole-3-carboxylic acid?
The InChIKey is SGAQLPZEZVPKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H2,1H3,(H,8,9).
What are the key properties of 5-methyl-4H-pyrazole-3-carboxylic acid?
5-methyl-4H-pyrazole-3-carboxylic acid has a molecular weight of 126.11 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 95180514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).