N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H17F3N6O2 — CID 166099551

IUPACN-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCN(CC)c1noc(CNC(=O)c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C13H17F3N6O2/c1-4-22(5-2)12-18-10(24-20-12)7-17-11(23)8-6-9(13(14,15)16)19-21(8)3/h6H,4-5,7H2,1-3H3,(H,17,23)
InChIKeyRXHCJICETNDACY-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.60
Rot. Bonds6

About N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 166099551) has the molecular formula C13H17F3N6O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID166099551
Molecular FormulaC13H17F3N6O2
Molecular Weight346.31 g/mol
Exact Mass346.14
IUPAC NameN-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCN(CC)c1noc(CNC(=O)c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C13H17F3N6O2/c1-4-22(5-2)12-18-10(24-20-12)7-17-11(23)8-6-9(13(14,15)16)19-21(8)3/h6H,4-5,7H2,1-3H3,(H,17,23)
InChIKeyRXHCJICETNDACY-UHFFFAOYSA-N
XLogP1.60
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 166099551) is N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCN(CC)c1noc(CNC(=O)c2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is RXHCJICETNDACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6O2/c1-4-22(5-2)12-18-10(24-20-12)7-17-11(23)8-6-9(13(14,15)16)19-21(8)3/h6H,4-5,7H2,1-3H3,(H,17,23).
What are the key properties of N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 166099551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).