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

C6H6F3N3O — CID 43582804

IUPACN-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-10-5(13)4-1-11-12-2-4/h1-2H,3H2,(H,10,13)(H,11,12)
InChIKeyPIMVATCPAIBGGG-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.70
Rot. Bonds2

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

N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582804) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID43582804
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC NameN-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-10-5(13)4-1-11-12-2-4/h1-2H,3H2,(H,10,13)(H,11,12)
InChIKeyPIMVATCPAIBGGG-UHFFFAOYSA-N
XLogP0.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 43582804) is N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is O=C(NCC(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PIMVATCPAIBGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)3-10-5(13)4-1-11-12-2-4/h1-2H,3H2,(H,10,13)(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).