3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C6H5F4N3O — CID 131986822

IUPAC3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1c(F)n[nH]c1C(F)(F)F
InChIInChI=1S/C6H5F4N3O/c1-11-5(14)2-3(6(8,9)10)12-13-4(2)7/h1H3,(H,11,14)(H,12,13)
InChIKeyUVGCITDGAZIEDE-UHFFFAOYSA-N
MW211.12 g/mol
LogP0.93
Rot. Bonds1

About 3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 131986822) has the molecular formula C6H5F4N3O and a molecular weight of 211.12 g/mol. Its IUPAC name is 3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID131986822
Molecular FormulaC6H5F4N3O
Molecular Weight211.12 g/mol
Exact Mass211.04
IUPAC Name3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1c(F)n[nH]c1C(F)(F)F
InChIInChI=1S/C6H5F4N3O/c1-11-5(14)2-3(6(8,9)10)12-13-4(2)7/h1H3,(H,11,14)(H,12,13)
InChIKeyUVGCITDGAZIEDE-UHFFFAOYSA-N
XLogP0.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 131986822) is 3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is CNC(=O)c1c(F)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is UVGCITDGAZIEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3O/c1-11-5(14)2-3(6(8,9)10)12-13-4(2)7/h1H3,(H,11,14)(H,12,13).
What are the key properties of 3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 211.12 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 131986822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).