1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C14H18F3N5O3 — CID 167985558

IUPAC1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)CN(CCc1noc(=O)[nH]1)C(=O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C14H18F3N5O3/c1-8(2)7-22(5-4-10-19-13(24)25-20-10)12(23)9-6-18-21(3)11(9)14(15,16)17/h6,8H,4-5,7H2,1-3H3,(H,19,20,24)
InChIKeyACCHEPXLUSODEX-UHFFFAOYSA-N
MW361.32 g/mol
LogP1.46
Rot. Bonds6

About 1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 167985558) has the molecular formula C14H18F3N5O3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID167985558
Molecular FormulaC14H18F3N5O3
Molecular Weight361.32 g/mol
Exact Mass361.14
IUPAC Name1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)CN(CCc1noc(=O)[nH]1)C(=O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C14H18F3N5O3/c1-8(2)7-22(5-4-10-19-13(24)25-20-10)12(23)9-6-18-21(3)11(9)14(15,16)17/h6,8H,4-5,7H2,1-3H3,(H,19,20,24)
InChIKeyACCHEPXLUSODEX-UHFFFAOYSA-N
XLogP1.46
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 167985558) is 1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)CN(CCc1noc(=O)[nH]1)C(=O)c1cnn(C)c1C(F)(F)F.
What is the InChIKey of 1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ACCHEPXLUSODEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O3/c1-8(2)7-22(5-4-10-19-13(24)25-20-10)12(23)9-6-18-21(3)11(9)14(15,16)17/h6,8H,4-5,7H2,1-3H3,(H,19,20,24).
What are the key properties of 1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpropyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167985558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).