3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid

C13H12N2O2 — CID 2525984

IUPAC3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c16-13(17)12-8-11(9-6-7-9)14-15(12)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyJFQCXXRFZAYTNZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.45
Rot. Bonds3

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

3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid (PubChem CID 2525984) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid
PubChem CID2525984
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c16-13(17)12-8-11(9-6-7-9)14-15(12)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyJFQCXXRFZAYTNZ-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid (CID 2525984) is 3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid is O=C(O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid?
The InChIKey is JFQCXXRFZAYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)12-8-11(9-6-7-9)14-15(12)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17).
What are the key properties of 3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid?
3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-phenylpyrazole-5-carboxylic acid is sourced from PubChem (CID 2525984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).