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

C13H15F3N4O2 — CID 87020404

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C13H15F3N4O2/c1-7-9(8(2)22-18-7)5-19(3)12(21)10-6-20(4)17-11(10)13(14,15)16/h6H,5H2,1-4H3
InChIKeyLSIIDZYNWLJERB-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.32
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87020404) has the molecular formula C13H15F3N4O2 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87020404
Molecular FormulaC13H15F3N4O2
Molecular Weight316.28 g/mol
Exact Mass316.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C13H15F3N4O2/c1-7-9(8(2)22-18-7)5-19(3)12(21)10-6-20(4)17-11(10)13(14,15)16/h6H,5H2,1-4H3
InChIKeyLSIIDZYNWLJERB-UHFFFAOYSA-N
XLogP2.32
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87020404) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1noc(C)c1CN(C)C(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LSIIDZYNWLJERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O2/c1-7-9(8(2)22-18-7)5-19(3)12(21)10-6-20(4)17-11(10)13(14,15)16/h6H,5H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87020404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).