1,5-dimethylpyrazole-4-carboxylic acid

C6H8N2O2 — CID 1273303

IUPAC1,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1C
InChIInChI=1S/C6H8N2O2/c1-4-5(6(9)10)3-7-8(4)2/h3H,1-2H3,(H,9,10)
InChIKeySKTIXLZNJZTGRT-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.43
Rot. Bonds1

About 1,5-dimethylpyrazole-4-carboxylic acid

1,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 1273303) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethylpyrazole-4-carboxylic acid
PubChem CID1273303
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1C
InChIInChI=1S/C6H8N2O2/c1-4-5(6(9)10)3-7-8(4)2/h3H,1-2H3,(H,9,10)
InChIKeySKTIXLZNJZTGRT-UHFFFAOYSA-N
XLogP0.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1,5-dimethylpyrazole-4-carboxylic acid (CID 1273303) is 1,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1,5-dimethylpyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1C.
What is the InChIKey of 1,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is SKTIXLZNJZTGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-5(6(9)10)3-7-8(4)2/h3H,1-2H3,(H,9,10).
What are the key properties of 1,5-dimethylpyrazole-4-carboxylic acid?
1,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 1273303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).