3-(trifluoromethyl)pyrazole-1-carboxamide

C5H4F3N3O — CID 118051784

IUPAC3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESNC(=O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)3-1-2-11(10-3)4(9)12/h1-2H,(H2,9,12)
InChIKeyMDKQOOSERWWIEA-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.83
Rot. Bonds

About 3-(trifluoromethyl)pyrazole-1-carboxamide

3-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 118051784) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID118051784
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESNC(=O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)3-1-2-11(10-3)4(9)12/h1-2H,(H2,9,12)
InChIKeyMDKQOOSERWWIEA-UHFFFAOYSA-N
XLogP0.83
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(trifluoromethyl)pyrazole-1-carboxamide (CID 118051784) is 3-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(trifluoromethyl)pyrazole-1-carboxamide is NC(=O)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 3-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is MDKQOOSERWWIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)3-1-2-11(10-3)4(9)12/h1-2H,(H2,9,12).
What are the key properties of 3-(trifluoromethyl)pyrazole-1-carboxamide?
3-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 179.10 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118051784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).