5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid

C8H10N2O2 — CID 54595350

IUPAC5-cyclopropyl-1-methylpyrazole-3-carboxylic acid
SMILESCN1C(=CC(=N1)C(=O)O)C2CC2
InChIInChI=1S/C8H10N2O2/c1-10-7(5-2-3-5)4-6(9-10)8(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyFVKZQLNLKVIBIB-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.70
Rot. Bonds2

About 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid

5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 54595350) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-cyclopropyl-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID54595350
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-cyclopropyl-1-methylpyrazole-3-carboxylic acid
SMILESCN1C(=CC(=N1)C(=O)O)C2CC2
InChIInChI=1S/C8H10N2O2/c1-10-7(5-2-3-5)4-6(9-10)8(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyFVKZQLNLKVIBIB-UHFFFAOYSA-N
XLogP0.70
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity203

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid (CID 54595350) is 5-cyclopropyl-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid is CN1C(=CC(=N1)C(=O)O)C2CC2.
What is the InChIKey of 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is FVKZQLNLKVIBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-7(5-2-3-5)4-6(9-10)8(11)12/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid?
5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 54595350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).