N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide

C11H14F3N3O2 — CID 154781132

IUPACN-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide
SMILESCn1nc(NC(=O)C2CCCOC2)cc1C(F)(F)F
InChIInChI=1S/C11H14F3N3O2/c1-17-8(11(12,13)14)5-9(16-17)15-10(18)7-3-2-4-19-6-7/h5,7H,2-4,6H2,1H3,(H,15,16,18)
InChIKeyJQRBZVBTEHINRV-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.80
Rot. Bonds2

About N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide

N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide (PubChem CID 154781132) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide
PubChem CID154781132
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide
SMILESCn1nc(NC(=O)C2CCCOC2)cc1C(F)(F)F
InChIInChI=1S/C11H14F3N3O2/c1-17-8(11(12,13)14)5-9(16-17)15-10(18)7-3-2-4-19-6-7/h5,7H,2-4,6H2,1H3,(H,15,16,18)
InChIKeyJQRBZVBTEHINRV-UHFFFAOYSA-N
XLogP1.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide?
The IUPAC name of N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide (CID 154781132) is N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide.
What is the SMILES notation for N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide?
The canonical SMILES for N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide is Cn1nc(NC(=O)C2CCCOC2)cc1C(F)(F)F.
What is the InChIKey of N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide?
The InChIKey is JQRBZVBTEHINRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-17-8(11(12,13)14)5-9(16-17)15-10(18)7-3-2-4-19-6-7/h5,7H,2-4,6H2,1H3,(H,15,16,18).
What are the key properties of N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide?
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-3-carboxamide is sourced from PubChem (CID 154781132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).