1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide

C6H6F3N3O — CID 91041717

IUPAC1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(F)(F)F)cn1
InChIInChI=1S/C6H6F3N3O/c1-12-3-4(2-10-12)5(13)11-6(7,8)9/h2-3H,1H3,(H,11,13)
InChIKeySEHJBHNYIGUFIX-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.67
Rot. Bonds1

About 1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 91041717) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID91041717
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(F)(F)F)cn1
InChIInChI=1S/C6H6F3N3O/c1-12-3-4(2-10-12)5(13)11-6(7,8)9/h2-3H,1H3,(H,11,13)
InChIKeySEHJBHNYIGUFIX-UHFFFAOYSA-N
XLogP0.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
CID 107846469
2,2-difluoro-1-(1-methylpyrazol-4-yl)propan-1-one
CID 127017336
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314
1-methylpyrazole-4-carboxylate
CID 6979031
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
fluoromethane;1-methylpyrazole-4-carboxamide
CID 158051819
(2S)-3,3-dimethyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 61143521
N-[chloro(difluoro)methyl]-1-methylpyrazole-4-carboxamide;1,2-difluoro-4-(2-fluorophenyl)benzene
CID 158779533
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153723
N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide
CID 61120053

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide (CID 91041717) is 1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NC(F)(F)F)cn1.
What is the InChIKey of 1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SEHJBHNYIGUFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-12-3-4(2-10-12)5(13)11-6(7,8)9/h2-3H,1H3,(H,11,13).
What are the key properties of 1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 91041717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).