methane;3-(trifluoromethyl)pyrazole-1-carboxamide

C6H8F3N3O — CID 129285718

IUPACmethane;3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESC.NC(=O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3O.CH4/c6-5(7,8)3-1-2-11(10-3)4(9)12;/h1-2H,(H2,9,12);1H4
InChIKeyULVDJJWITQYBTK-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.46
Rot. Bonds

About methane;3-(trifluoromethyl)pyrazole-1-carboxamide

methane;3-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 129285718) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is methane;3-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Namemethane;3-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID129285718
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Namemethane;3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESC.NC(=O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3O.CH4/c6-5(7,8)3-1-2-11(10-3)4(9)12;/h1-2H,(H2,9,12);1H4
InChIKeyULVDJJWITQYBTK-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3(or 5)-Methyl-1H-pyrazole-1-carboxamide
CID 242452
1-[3-(Trifluoromethyl)pyrazol-1-yl]ethanone
CID 138984067
3,4-Dimethyl-1H-pyrazole-1-carboxamide
CID 12933277
N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 132597454
1-[3-(Difluoromethyl)pyrazol-1-yl]ethanone
CID 154716540
Methyl 3-(trifluoromethyl)pyrazole-1-carboxylate
CID 177853137
3-(Difluoromethyl)pyrazole-1-carboxamide
CID 57155417
3-(Trifluoromethyl)pyrazole-1-carboxylic acid
CID 57160969
3,3,3-Trifluoro-1-(3-methylpyrazol-1-yl)propan-1-one
CID 70669728
5-(Trifluoromethyl)pyrazole-1-carbothioamide
CID 87740592
3-(Difluoromethyl)pyrazole-1-carboxylic acid
CID 89497762
5-(Difluoromethyl)pyrazole-1-carboxamide
CID 89977566

Frequently Asked Questions

What is the IUPAC name of methane;3-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of methane;3-(trifluoromethyl)pyrazole-1-carboxamide (CID 129285718) is methane;3-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for methane;3-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for methane;3-(trifluoromethyl)pyrazole-1-carboxamide is C.NC(=O)n1ccc(C(F)(F)F)n1.
What is the InChIKey of methane;3-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is ULVDJJWITQYBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O.CH4/c6-5(7,8)3-1-2-11(10-3)4(9)12;/h1-2H,(H2,9,12);1H4.
What are the key properties of methane;3-(trifluoromethyl)pyrazole-1-carboxamide?
methane;3-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 195.14 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 129285718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).