3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide

C7H10F2N4O — CID 145427758

IUPAC3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(N)nn1CC(F)F
InChIInChI=1S/C7H10F2N4O/c1-11-7(14)4-2-6(10)12-13(4)3-5(8)9/h2,5H,3H2,1H3,(H2,10,12)(H,11,14)
InChIKeyNGTQEFOBUDDILA-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.09
Rot. Bonds3

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

3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide (PubChem CID 145427758) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide
PubChem CID145427758
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(N)nn1CC(F)F
InChIInChI=1S/C7H10F2N4O/c1-11-7(14)4-2-6(10)12-13(4)3-5(8)9/h2,5H,3H2,1H3,(H2,10,12)(H,11,14)
InChIKeyNGTQEFOBUDDILA-UHFFFAOYSA-N
XLogP0.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.09
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)-N-methylpyrazole-5-carboxamide?
The IUPAC name of 3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide (CID 145427758) is 3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide is CNC(=O)c1cc(N)nn1CC(F)F.
What is the InChIKey of 3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide?
The InChIKey is NGTQEFOBUDDILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c1-11-7(14)4-2-6(10)12-13(4)3-5(8)9/h2,5H,3H2,1H3,(H2,10,12)(H,11,14).
What are the key properties of 3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide?
3-amino-1-(2,2-difluoroethyl)-N-methylpyrazole-5-carboxamide has a molecular weight of 204.18 g/mol, XLogP of 0.09, 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)-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 145427758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).