1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine

C11H13F3N4O — CID 118171048

IUPAC1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
SMILESCCc1cc(Cn2nc(C(F)(F)F)c(N)c2C)on1
InChIInChI=1S/C11H13F3N4O/c1-3-7-4-8(19-17-7)5-18-6(2)9(15)10(16-18)11(12,13)14/h4H,3,5,15H2,1-2H3
InChIKeyXNVCCDYKAOLPAP-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.39
Rot. Bonds3

About 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 118171048) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID118171048
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
SMILESCCc1cc(Cn2nc(C(F)(F)F)c(N)c2C)on1
InChIInChI=1S/C11H13F3N4O/c1-3-7-4-8(19-17-7)5-18-6(2)9(15)10(16-18)11(12,13)14/h4H,3,5,15H2,1-2H3
InChIKeyXNVCCDYKAOLPAP-UHFFFAOYSA-N
XLogP2.39
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine (CID 118171048) is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine is CCc1cc(Cn2nc(C(F)(F)F)c(N)c2C)on1.
What is the InChIKey of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is XNVCCDYKAOLPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-3-7-4-8(19-17-7)5-18-6(2)9(15)10(16-18)11(12,13)14/h4H,3,5,15H2,1-2H3.
What are the key properties of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine?
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 274.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 118171048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).