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

C11H16FN3O2 — CID 145225615

IUPAC5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCC(C)(F)CC1Cc2c(C(N)=O)n[nH]c2CO1
InChIInChI=1S/C11H16FN3O2/c1-11(2,12)4-6-3-7-8(5-17-6)14-15-9(7)10(13)16/h6H,3-5H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyXILJOTMDKOUHAW-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.09
Rot. Bonds3

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

5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 145225615) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID145225615
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCC(C)(F)CC1Cc2c(C(N)=O)n[nH]c2CO1
InChIInChI=1S/C11H16FN3O2/c1-11(2,12)4-6-3-7-8(5-17-6)14-15-9(7)10(13)16/h6H,3-5H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyXILJOTMDKOUHAW-UHFFFAOYSA-N
XLogP1.09
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 145225615) is 5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is CC(C)(F)CC1Cc2c(C(N)=O)n[nH]c2CO1.
What is the InChIKey of 5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is XILJOTMDKOUHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-11(2,12)4-6-3-7-8(5-17-6)14-15-9(7)10(13)16/h6H,3-5H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 241.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-2-methylpropyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 145225615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).