5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide

C7H8F3N3O2 — CID 151609678

IUPAC5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H8F3N3O2/c1-4-2-3-13(12-4)6(15)11-5(14)7(8,9)10/h2-3H2,1H3,(H,11,14,15)
InChIKeyQMFOXGSENYGOEZ-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.87
Rot. Bonds

About 5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide

5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 151609678) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID151609678
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H8F3N3O2/c1-4-2-3-13(12-4)6(15)11-5(14)7(8,9)10/h2-3H2,1H3,(H,11,14,15)
InChIKeyQMFOXGSENYGOEZ-UHFFFAOYSA-N
XLogP0.87
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide (CID 151609678) is 5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(=O)NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is QMFOXGSENYGOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-4-2-3-13(12-4)6(15)11-5(14)7(8,9)10/h2-3H2,1H3,(H,11,14,15).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide?
5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 223.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroacetyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 151609678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).