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

C12H15F3N4O — CID 167854204

IUPAC5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESCc1cnc(C(C)Nc2cnn(CC(F)(F)F)c2C)o1
InChIInChI=1S/C12H15F3N4O/c1-7-4-16-11(20-7)8(2)18-10-5-17-19(9(10)3)6-12(13,14)15/h4-5,8,18H,6H2,1-3H3
InChIKeySEASTLQDYGLNQK-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.22
Rot. Bonds4

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

5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 167854204) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID167854204
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESCc1cnc(C(C)Nc2cnn(CC(F)(F)F)c2C)o1
InChIInChI=1S/C12H15F3N4O/c1-7-4-16-11(20-7)8(2)18-10-5-17-19(9(10)3)6-12(13,14)15/h4-5,8,18H,6H2,1-3H3
InChIKeySEASTLQDYGLNQK-UHFFFAOYSA-N
XLogP3.22
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (CID 167854204) is 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is Cc1cnc(C(C)Nc2cnn(CC(F)(F)F)c2C)o1.
What is the InChIKey of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is SEASTLQDYGLNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-7-4-16-11(20-7)8(2)18-10-5-17-19(9(10)3)6-12(13,14)15/h4-5,8,18H,6H2,1-3H3.
What are the key properties of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 288.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 167854204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).