3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide

C6H8F2N4O — CID 154882182

IUPAC3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(N)nn1CC(F)F
InChIInChI=1S/C6H8F2N4O/c7-4(8)2-12-3(6(10)13)1-5(9)11-12/h1,4H,2H2,(H2,9,11)(H2,10,13)
InChIKeyINPHKMNDOAYGLR-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.17
Rot. Bonds3

About 3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide

3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide (PubChem CID 154882182) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide
PubChem CID154882182
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(N)nn1CC(F)F
InChIInChI=1S/C6H8F2N4O/c7-4(8)2-12-3(6(10)13)1-5(9)11-12/h1,4H,2H2,(H2,9,11)(H2,10,13)
InChIKeyINPHKMNDOAYGLR-UHFFFAOYSA-N
XLogP-0.17
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide (CID 154882182) is 3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide is NC(=O)c1cc(N)nn1CC(F)F.
What is the InChIKey of 3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide?
The InChIKey is INPHKMNDOAYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c7-4(8)2-12-3(6(10)13)1-5(9)11-12/h1,4H,2H2,(H2,9,11)(H2,10,13).
What are the key properties of 3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide?
3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide has a molecular weight of 190.15 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-difluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 154882182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).