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

C6H8F2N4O — CID 107345100

IUPAC4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CC(F)F)cc1N
InChIInChI=1S/C6H8F2N4O/c7-4(8)2-12-1-3(9)5(11-12)6(10)13/h1,4H,2,9H2,(H2,10,13)
InChIKeyWBWDKDUFPGEVTG-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.17
Rot. Bonds3

About 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide

4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide (PubChem CID 107345100) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
PubChem CID107345100
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CC(F)F)cc1N
InChIInChI=1S/C6H8F2N4O/c7-4(8)2-12-1-3(9)5(11-12)6(10)13/h1,4H,2,9H2,(H2,10,13)
InChIKeyWBWDKDUFPGEVTG-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

Analyze 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide (CID 107345100) is 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide is NC(=O)c1nn(CC(F)F)cc1N.
What is the InChIKey of 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide?
The InChIKey is WBWDKDUFPGEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c7-4(8)2-12-1-3(9)5(11-12)6(10)13/h1,4H,2,9H2,(H2,10,13).
What are the key properties of 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide?
4-amino-1-(2,2-difluoroethyl)pyrazole-3-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 4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 107345100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).