1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid

C7H7F3N2O2 — CID 7017780

IUPAC1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-2-12-5(7(8,9)10)3-4(11-12)6(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyBJLMBVOXZSMLJE-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.62
Rot. Bonds2

About 1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid

1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid (PubChem CID 7017780) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
PubChem CID7017780
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-2-12-5(7(8,9)10)3-4(11-12)6(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyBJLMBVOXZSMLJE-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
CID 606540
1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
CID 2743794
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid
CID 587721
1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid
CID 2744573
3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
CID 820565
1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
CID 1229838
1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid
CID 3154179
1,5-dimethyl-1H-pyrazole-3-carboxylic acid
CID 587757
1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylic acid
CID 2747169
1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid
CID 3154178
1-ethyl-3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
CID 6484132
1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid
CID 16394827

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid (CID 7017780) is 1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid is CCn1nc(C(=O)O)cc1C(F)(F)F.
What is the InChIKey of 1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid?
The InChIKey is BJLMBVOXZSMLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-2-12-5(7(8,9)10)3-4(11-12)6(13)14/h3H,2H2,1H3,(H,13,14).
What are the key properties of 1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid?
1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid has a molecular weight of 208.14 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 7017780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).