4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C6H6F3N3O — CID 142495222

IUPAC4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1CC(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)1-3-2-11-12-4(3)5(10)13/h2H,1H2,(H2,10,13)(H,11,12)
InChIKeyQYNBCTGUPQZNRB-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.61
Rot. Bonds2

About 4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 142495222) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID142495222
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1CC(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)1-3-2-11-12-4(3)5(10)13/h2H,1H2,(H2,10,13)(H,11,12)
InChIKeyQYNBCTGUPQZNRB-UHFFFAOYSA-N
XLogP0.61
TPSA71.77 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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 142495222) is 4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1CC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QYNBCTGUPQZNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)1-3-2-11-12-4(3)5(10)13/h2H,1H2,(H2,10,13)(H,11,12).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142495222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).