5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C9H10F3N3O2 — CID 145225283

IUPAC5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2c1CC(CC(F)(F)F)OC2
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)2-4-1-5-6(3-17-4)14-15-7(5)8(13)16/h4H,1-3H2,(H2,13,16)(H,14,15)
InChIKeyLAWLYEDZZDBVKQ-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.90
Rot. Bonds2

About 5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 145225283) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID145225283
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2c1CC(CC(F)(F)F)OC2
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)2-4-1-5-6(3-17-4)14-15-7(5)8(13)16/h4H,1-3H2,(H2,13,16)(H,14,15)
InChIKeyLAWLYEDZZDBVKQ-UHFFFAOYSA-N
XLogP0.90
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 145225283) is 5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is NC(=O)c1n[nH]c2c1CC(CC(F)(F)F)OC2.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is LAWLYEDZZDBVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)2-4-1-5-6(3-17-4)14-15-7(5)8(13)16/h4H,1-3H2,(H2,13,16)(H,14,15).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 249.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 145225283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).