5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid

C9H12N2O3 — CID 29036357

IUPAC5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(CCO)c1C1CC1
InChIInChI=1S/C9H12N2O3/c12-4-3-11-8(6-1-2-6)7(5-10-11)9(13)14/h5-6,12H,1-4H2,(H,13,14)
InChIKeySOIRIDQPHKUNDS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.45
Rot. Bonds4

About 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid

5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid (PubChem CID 29036357) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
PubChem CID29036357
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(CCO)c1C1CC1
InChIInChI=1S/C9H12N2O3/c12-4-3-11-8(6-1-2-6)7(5-10-11)9(13)14/h5-6,12H,1-4H2,(H,13,14)
InChIKeySOIRIDQPHKUNDS-UHFFFAOYSA-N
XLogP0.45
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid (CID 29036357) is 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(CCO)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid?
The InChIKey is SOIRIDQPHKUNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-4-3-11-8(6-1-2-6)7(5-10-11)9(13)14/h5-6,12H,1-4H2,(H,13,14).
What are the key properties of 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid?
5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 29036357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).