3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid

C5H6N2O3 — CID 28743064

IUPAC3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESCc1[nH][nH]c(=O)c1C(=O)O
InChIInChI=1S/C5H6N2O3/c1-2-3(5(9)10)4(8)7-6-2/h1H3,(H,9,10)(H2,6,7,8)
InChIKeyAJLZXFZTPFYIBR-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.29
Rot. Bonds1

About 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid

3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (PubChem CID 28743064) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
PubChem CID28743064
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESCc1[nH][nH]c(=O)c1C(=O)O
InChIInChI=1S/C5H6N2O3/c1-2-3(5(9)10)4(8)7-6-2/h1H3,(H,9,10)(H2,6,7,8)
InChIKeyAJLZXFZTPFYIBR-UHFFFAOYSA-N
XLogP-0.29
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (CID 28743064) is 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is Cc1[nH][nH]c(=O)c1C(=O)O.
What is the InChIKey of 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The InChIKey is AJLZXFZTPFYIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-2-3(5(9)10)4(8)7-6-2/h1H3,(H,9,10)(H2,6,7,8).
What are the key properties of 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 28743064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).