4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide

C7H8F3N3O — CID 173296270

IUPAC4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCCc1cnn(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-2-4-3-12-13(6(11)14)5(4)7(8,9)10/h3H,2H2,1H3,(H2,11,14)
InChIKeyGIXYOTJWQPUSMO-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.39
Rot. Bonds1

About 4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide

4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 173296270) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID173296270
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCCc1cnn(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-2-4-3-12-13(6(11)14)5(4)7(8,9)10/h3H,2H2,1H3,(H2,11,14)
InChIKeyGIXYOTJWQPUSMO-UHFFFAOYSA-N
XLogP1.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of 4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide (CID 173296270) is 4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide is CCc1cnn(C(N)=O)c1C(F)(F)F.
What is the InChIKey of 4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is GIXYOTJWQPUSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-2-4-3-12-13(6(11)14)5(4)7(8,9)10/h3H,2H2,1H3,(H2,11,14).
What are the key properties of 4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide?
4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 173296270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).