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

C7H9F3N4O — CID 60890844

IUPAC5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cn[nH]c1N
InChIInChI=1S/C7H9F3N4O/c1-14(3-7(8,9)10)6(15)4-2-12-13-5(4)11/h2H,3H2,1H3,(H3,11,12,13)
InChIKeyBTAIVFPNZYEDQJ-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.63
Rot. Bonds2

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

5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60890844) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID60890844
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cn[nH]c1N
InChIInChI=1S/C7H9F3N4O/c1-14(3-7(8,9)10)6(15)4-2-12-13-5(4)11/h2H,3H2,1H3,(H3,11,12,13)
InChIKeyBTAIVFPNZYEDQJ-UHFFFAOYSA-N
XLogP0.63
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 60890844) is 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is CN(CC(F)(F)F)C(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BTAIVFPNZYEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-14(3-7(8,9)10)6(15)4-2-12-13-5(4)11/h2H,3H2,1H3,(H3,11,12,13).
What are the key properties of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 222.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60890844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).