5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

C8H7F5N2O3 — CID 71874102

IUPAC5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn(CCO)c1C(F)F
InChIInChI=1S/C8H7F5N2O3/c9-6(10)4-3(7(17)18)5(8(11,12)13)14-15(4)1-2-16/h6,16H,1-2H2,(H,17,18)
InChIKeySFMUFFLVYUEIQR-UHFFFAOYSA-N
MW274.14 g/mol
LogP1.53
Rot. Bonds4

About 5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 71874102) has the molecular formula C8H7F5N2O3 and a molecular weight of 274.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID71874102
Molecular FormulaC8H7F5N2O3
Molecular Weight274.14 g/mol
Exact Mass274.04
IUPAC Name5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn(CCO)c1C(F)F
InChIInChI=1S/C8H7F5N2O3/c9-6(10)4-3(7(17)18)5(8(11,12)13)14-15(4)1-2-16/h6,16H,1-2H2,(H,17,18)
InChIKeySFMUFFLVYUEIQR-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxylic acid
CID 71874105
[5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-(4-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone
CID 166298474
5-(difluoromethyl)-1-(2-hydroxyethyl)-N-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 154858690
3-(difluoromethyl)-1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid
CID 167727574
2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 165499656
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 19754695
5-(difluoromethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid
CID 102644503
5-chloro-1-[(2-methylphenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 63272194
1-(cyanomethyl)-4-iodo-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 121211570
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 86629852
1-[(3-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 63276738
5-(difluoromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]triazole-4-carboxylic acid
CID 102644529

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 71874102) is 5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid is O=C(O)c1c(C(F)(F)F)nn(CCO)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is SFMUFFLVYUEIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O3/c9-6(10)4-3(7(17)18)5(8(11,12)13)14-15(4)1-2-16/h6,16H,1-2H2,(H,17,18).
What are the key properties of 5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 274.14 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 71874102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).