3,5-dimethyl-1H-pyrazole-4-carboxylic acid

C6H8N2O2 — CID 2776164

IUPAC3,5-dimethyl-1H-pyrazole-4-carboxylic acid
SMILESCc1n[nH]c(C)c1C(=O)O
InChIInChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)
InChIKeyIOOWDXMXZBYKLR-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.72
Rot. Bonds1

About 3,5-dimethyl-1H-pyrazole-4-carboxylic acid

3,5-dimethyl-1H-pyrazole-4-carboxylic acid (PubChem CID 2776164) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3,5-dimethyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-1H-pyrazole-4-carboxylic acid
PubChem CID2776164
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3,5-dimethyl-1H-pyrazole-4-carboxylic acid
SMILESCc1n[nH]c(C)c1C(=O)O
InChIInChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)
InChIKeyIOOWDXMXZBYKLR-UHFFFAOYSA-N
XLogP0.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (CID 2776164) is 3,5-dimethyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-1H-pyrazole-4-carboxylic acid is Cc1n[nH]c(C)c1C(=O)O.
What is the InChIKey of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is IOOWDXMXZBYKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10).
What are the key properties of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid?
3,5-dimethyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 2776164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).