5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid

C9H12N2O2 — CID 82280769

IUPAC5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1C1CC1
InChIInChI=1S/C9H12N2O2/c1-2-11-8(6-3-4-6)5-7(10-11)9(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyIGQPAFZXFRCHSF-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.48
Rot. Bonds3

About 5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid

5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid (PubChem CID 82280769) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid
PubChem CID82280769
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1C1CC1
InChIInChI=1S/C9H12N2O2/c1-2-11-8(6-3-4-6)5-7(10-11)9(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyIGQPAFZXFRCHSF-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid (CID 82280769) is 5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid is CCn1nc(C(=O)O)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid?
The InChIKey is IGQPAFZXFRCHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-11-8(6-3-4-6)5-7(10-11)9(12)13/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid?
5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-ethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82280769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).