5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid

C13H10F2N2O2 — CID 28606361

IUPAC5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(F)cc2F)c1C1CC1
InChIInChI=1S/C13H10F2N2O2/c14-8-3-4-11(10(15)5-8)17-12(7-1-2-7)9(6-16-17)13(18)19/h3-7H,1-2H2,(H,18,19)
InChIKeyMZIDFBNCLNTSOA-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.73
Rot. Bonds3

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

5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid (PubChem CID 28606361) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid
PubChem CID28606361
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(F)cc2F)c1C1CC1
InChIInChI=1S/C13H10F2N2O2/c14-8-3-4-11(10(15)5-8)17-12(7-1-2-7)9(6-16-17)13(18)19/h3-7H,1-2H2,(H,18,19)
InChIKeyMZIDFBNCLNTSOA-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(fluoromethyl)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 22267607
5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid
CID 82361375
4-(chloromethyl)-5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole
CID 66439229
N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053227
ethyl 4-[[1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 155901037
(1S,7R)-3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid
CID 69246902
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372
1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924053
tert-butyl 4-[1-(2,4-difluorophenyl)-4-[(2-methylphenyl)carbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46281147
1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053220
5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxylic acid
CID 63275359
1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053221

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid (CID 28606361) is 5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccc(F)cc2F)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid?
The InChIKey is MZIDFBNCLNTSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-8-3-4-11(10(15)5-8)17-12(7-1-2-7)9(6-16-17)13(18)19/h3-7H,1-2H2,(H,18,19).
What are the key properties of 5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid?
5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid has a molecular weight of 264.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 28606361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).