3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid

C10H10F4N2O2 — CID 19622820

IUPAC3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(CC(F)(F)C(F)F)nc1C1CC1
InChIInChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)4-16-3-6(8(17)18)7(15-16)5-1-2-5/h3,5,9H,1-2,4H2,(H,17,18)
InChIKeySDAFYVCGMIJLLC-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.36
Rot. Bonds5

About 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid

3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid (PubChem CID 19622820) has the molecular formula C10H10F4N2O2 and a molecular weight of 266.19 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid
PubChem CID19622820
Molecular FormulaC10H10F4N2O2
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(CC(F)(F)C(F)F)nc1C1CC1
InChIInChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)4-16-3-6(8(17)18)7(15-16)5-1-2-5/h3,5,9H,1-2,4H2,(H,17,18)
InChIKeySDAFYVCGMIJLLC-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid (CID 19622820) is 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid is O=C(O)c1cn(CC(F)(F)C(F)F)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid?
The InChIKey is SDAFYVCGMIJLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2/c11-9(12)10(13,14)4-16-3-6(8(17)18)7(15-16)5-1-2-5/h3,5,9H,1-2,4H2,(H,17,18).
What are the key properties of 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid?
3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid has a molecular weight of 266.19 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 19622820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).