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

C6H6F3N3O — CID 174395549

IUPAC1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C(F)C(F)F)c1
InChIInChI=1S/C6H6F3N3O/c7-4(8)5(9)12-2-3(1-11-12)6(10)13/h1-2,4-5H,(H2,10,13)
InChIKeyXKFOMJYCPKFGTC-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.72
Rot. Bonds3

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

1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 174395549) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID174395549
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C(F)C(F)F)c1
InChIInChI=1S/C6H6F3N3O/c7-4(8)5(9)12-2-3(1-11-12)6(10)13/h1-2,4-5H,(H2,10,13)
InChIKeyXKFOMJYCPKFGTC-UHFFFAOYSA-N
XLogP0.72
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
4-(4-carbamoylpyrazol-1-yl)pentanoic acid
CID 62829226
1-(1-aminopentan-3-yl)pyrazole-4-carboxamide
CID 64780864
fluoromethane;1-methylpyrazole-4-carboxamide
CID 158051819
methyl 3-(4-carbamoylpyrazol-1-yl)butanoate
CID 62828712
1-sulfanylpyrazole-4-carboxamide
CID 138476290
1-[1-(3-aminophenyl)ethyl]pyrazole-4-carboxamide
CID 64781432
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide
CID 64780083
1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide
CID 64781044
1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 64782741
2-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]ethanone
CID 122241058
1-(1-fluorocyclopropyl)pyrazole-4-carboxamide
CID 178179771

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 174395549) is 1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide is NC(=O)c1cnn(C(F)C(F)F)c1.
What is the InChIKey of 1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is XKFOMJYCPKFGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-4(8)5(9)12-2-3(1-11-12)6(10)13/h1-2,4-5H,(H2,10,13).
What are the key properties of 1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide?
1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 174395549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).