1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide

C6H4F3N3O2 — CID 164945772

IUPAC1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C(=O)C(F)(F)F)c1
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)5(14)12-2-3(1-11-12)4(10)13/h1-2H,(H2,10,13)
InChIKeyJDBOYEBVXULSTQ-UHFFFAOYSA-N
MW207.11 g/mol
LogP0.18
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide

1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide (PubChem CID 164945772) has the molecular formula C6H4F3N3O2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide
PubChem CID164945772
Molecular FormulaC6H4F3N3O2
Molecular Weight207.11 g/mol
Exact Mass207.03
IUPAC Name1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C(=O)C(F)(F)F)c1
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)5(14)12-2-3(1-11-12)4(10)13/h1-2H,(H2,10,13)
InChIKeyJDBOYEBVXULSTQ-UHFFFAOYSA-N
XLogP0.18
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-1H-pyrazole-4-carboxamide
CID 14579135
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 19619552
1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carbaldehyde
CID 64566567
1-(difluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 83814724
1-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 91088026
1-Methylpyrazole-4-carbonyl fluoride
CID 89458229
1-ethyl-1H-pyrazole-4-carboxamide
CID 22456653
1-Propyl-1h-pyrazole-4-carboxamide
CID 53845262
1-isobutyl-1H-pyrazole-4-carboxamide
CID 58125107
1-Pentyl-1h-pyrazole-4-carboxamide
CID 124140305
1-Butyl-1h-pyrazole-4-carboxamide
CID 129840483
[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](1-methyl-1H-pyrazol-4-yl)methanone
CID 19583899

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide (CID 164945772) is 1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide is NC(=O)c1cnn(C(=O)C(F)(F)F)c1.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide?
The InChIKey is JDBOYEBVXULSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O2/c7-6(8,9)5(14)12-2-3(1-11-12)4(10)13/h1-2H,(H2,10,13).
What are the key properties of 1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide?
1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide has a molecular weight of 207.11 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide is sourced from PubChem (CID 164945772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).