1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

C7H7F3N2O2 — CID 19754695

IUPAC1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H7F3N2O2/c1-3-4(6(13)14)5(7(8,9)10)11-12(3)2/h1-2H3,(H,13,14)
InChIKeyXVQPOCQCAAYPGZ-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.45
Rot. Bonds1

About 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 19754695) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID19754695
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H7F3N2O2/c1-3-4(6(13)14)5(7(8,9)10)11-12(3)2/h1-2H3,(H,13,14)
InChIKeyXVQPOCQCAAYPGZ-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 86629852
3-iodo-1,5-dimethylpyrazole-4-carboxylic acid
CID 12654288
1,5-dimethylpyrazole-3,4-dicarboxylic acid
CID 10559376
1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 2783021
[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 59196731
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfonic acid;hydrochloride
CID 174268218
1,5-dimethyl-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 70851916
1-(2-hydroxyethyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxylic acid
CID 71874105
N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 174724212
1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 162597470
methyl 2,3-dichloro-3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]propanoate
CID 22380987
5-chloro-1-methyl-N,N-diphenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 139722098

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 19754695) is 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1c(C(=O)O)c(C(F)(F)F)nn1C.
What is the InChIKey of 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is XVQPOCQCAAYPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-3-4(6(13)14)5(7(8,9)10)11-12(3)2/h1-2H3,(H,13,14).
What are the key properties of 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 208.14 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 19754695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).