5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid

C13H12N2O2 — CID 22267908

IUPAC5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C13H12N2O2/c16-13(17)11-8-14-15(12(11)9-6-7-9)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyGOFLYUKBUGVGJT-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.45
Rot. Bonds3

About 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid

5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid (PubChem CID 22267908) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid
PubChem CID22267908
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C13H12N2O2/c16-13(17)11-8-14-15(12(11)9-6-7-9)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyGOFLYUKBUGVGJT-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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Related Compounds

1-phenyl-1H-pyrazole-4-carboxylic acid
CID 121026
1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 688699
1-(4-chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid
CID 2777583
2-Pyrazolylbenzoic acid
CID 4738383
5-Methyl-1-phenylpyrazole-4-carboxylic acid
CID 145221
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 976454
1,5-diphenyl-1H-pyrazole-4-carboxylic acid
CID 3801066
1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid
CID 2566102
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 612275
5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 673680
3-Methyl-5-(2-oxopropyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 692353
1-phenyl-1H-pyrazole-3,4-dicarboxylic acid
CID 827520

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid (CID 22267908) is 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is GOFLYUKBUGVGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)11-8-14-15(12(11)9-6-7-9)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17).
What are the key properties of 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid?
5-cyclopropyl-1-phenylpyrazole-4-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 5-cyclopropyl-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 22267908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).