4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C7H9F3N4O — CID 70114528

IUPAC4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1c(N)cnn1CC(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-12-6(15)5-4(11)2-13-14(5)3-7(8,9)10/h2H,3,11H2,1H3,(H,12,15)
InChIKeyUYBTUOJPIXQTBE-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.39
Rot. Bonds2

About 4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 70114528) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID70114528
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1c(N)cnn1CC(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-12-6(15)5-4(11)2-13-14(5)3-7(8,9)10/h2H,3,11H2,1H3,(H,12,15)
InChIKeyUYBTUOJPIXQTBE-UHFFFAOYSA-N
XLogP0.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 70114528) is 4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CNC(=O)c1c(N)cnn1CC(F)(F)F.
What is the InChIKey of 4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is UYBTUOJPIXQTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-12-6(15)5-4(11)2-13-14(5)3-7(8,9)10/h2H,3,11H2,1H3,(H,12,15).
What are the key properties of 4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 222.17 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70114528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).