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

C14H19F3N4O — CID 75521370

IUPAC1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2c(C)nn(CC(F)(F)F)c2C)o1
InChIInChI=1S/C14H19F3N4O/c1-8-5-19-12(22-8)6-18-9(2)13-10(3)20-21(11(13)4)7-14(15,16)17/h5,9,18H,6-7H2,1-4H3
InChIKeyMTBBSZUBPBWQLL-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.21
Rot. Bonds5

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

1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 75521370) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID75521370
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2c(C)nn(CC(F)(F)F)c2C)o1
InChIInChI=1S/C14H19F3N4O/c1-8-5-19-12(22-8)6-18-9(2)13-10(3)20-21(11(13)4)7-14(15,16)17/h5,9,18H,6-7H2,1-4H3
InChIKeyMTBBSZUBPBWQLL-UHFFFAOYSA-N
XLogP3.21
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 75521370) is 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1cnc(CNC(C)c2c(C)nn(CC(F)(F)F)c2C)o1.
What is the InChIKey of 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is MTBBSZUBPBWQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-8-5-19-12(22-8)6-18-9(2)13-10(3)20-21(11(13)4)7-14(15,16)17/h5,9,18H,6-7H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 316.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 75521370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).