1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C7H8F3N3O — CID 177051073

IUPAC1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCn1nc(CC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C7H8F3N3O/c1-13-5(6(11)14)2-4(12-13)3-7(8,9)10/h2H,3H2,1H3,(H2,11,14)
InChIKeyXYKPEJDCJGJLQW-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.62
Rot. Bonds2

About 1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 177051073) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID177051073
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCn1nc(CC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C7H8F3N3O/c1-13-5(6(11)14)2-4(12-13)3-7(8,9)10/h2H,3H2,1H3,(H2,11,14)
InChIKeyXYKPEJDCJGJLQW-UHFFFAOYSA-N
XLogP0.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 177051073) is 1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is Cn1nc(CC(F)(F)F)cc1C(N)=O.
What is the InChIKey of 1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is XYKPEJDCJGJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-13-5(6(11)14)2-4(12-13)3-7(8,9)10/h2H,3H2,1H3,(H2,11,14).
What are the key properties of 1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 177051073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).