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

C7H9F3N4O — CID 146680574

IUPAC3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)(F)F)nc1N
InChIInChI=1S/C7H9F3N4O/c1-12-6(15)4-2-14(13-5(4)11)3-7(8,9)10/h2H,3H2,1H3,(H2,11,13)(H,12,15)
InChIKeyUXTHBAAJEVZXPU-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.39
Rot. Bonds2

About 3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 146680574) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID146680574
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)(F)F)nc1N
InChIInChI=1S/C7H9F3N4O/c1-12-6(15)4-2-14(13-5(4)11)3-7(8,9)10/h2H,3H2,1H3,(H2,11,13)(H,12,15)
InChIKeyUXTHBAAJEVZXPU-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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Related Compounds

3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 170255025
3-amino-N-butyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680580
3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680579
3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680585
1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 66509522
methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
CID 146155798
3-amino-N-ethyl-1-propylpyrazole-4-carboxamide
CID 146680638
4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 70114528
3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
CID 146680558
3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide
CID 170256746
methyl 1-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxylate
CID 78955676
3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
CID 146680555

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 146680574) is 3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CNC(=O)c1cn(CC(F)(F)F)nc1N.
What is the InChIKey of 3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is UXTHBAAJEVZXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-12-6(15)4-2-14(13-5(4)11)3-7(8,9)10/h2H,3H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-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 3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146680574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).