2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid

C7H7F3N2O2 — CID 50896725

IUPAC2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1CCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)2-4-12-5(6(13)14)1-3-11-12/h1,3H,2,4H2,(H,13,14)
InChIKeyLQTIZFMDLWJRNY-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.53
Rot. Bonds3

About 2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid

2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid (PubChem CID 50896725) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid
PubChem CID50896725
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1CCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)2-4-12-5(6(13)14)1-3-11-12/h1,3H,2,4H2,(H,13,14)
InChIKeyLQTIZFMDLWJRNY-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4,4-trifluorobutyl)pyrazole-3-carboxylic acid
CID 115514375
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-(5-cyano-5-methylhexyl)pyrazole-3-carboxylic acid
CID 106713025
2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid
CID 175703524
2-(3-phenylpropyl)pyrazole-3-carboxylic acid
CID 60780145
2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780045
2-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 19619900
2-(2-phenylmethoxyethyl)pyrazole-3-carboxylic acid
CID 137425411
2-[(4-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 60780144
6-oxo-1-(3,3,3-trifluoropropyl)pyridazine-3-carboxylic acid
CID 114695937

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid (CID 50896725) is 2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid is O=C(O)c1ccnn1CCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid?
The InChIKey is LQTIZFMDLWJRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)2-4-12-5(6(13)14)1-3-11-12/h1,3H,2,4H2,(H,13,14).
What are the key properties of 2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid?
2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid has a molecular weight of 208.14 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 50896725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).