1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine

C11H18F3N3O — CID 61490781

IUPAC1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(CCOCC(F)(F)F)c1C
InChIInChI=1S/C11H18F3N3O/c1-8-10(6-15-3)9(2)17(16-8)4-5-18-7-11(12,13)14/h15H,4-7H2,1-3H3
InChIKeyHZHMPRDRDYGVRA-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.80
Rot. Bonds6

About 1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine

1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 61490781) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID61490781
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(CCOCC(F)(F)F)c1C
InChIInChI=1S/C11H18F3N3O/c1-8-10(6-15-3)9(2)17(16-8)4-5-18-7-11(12,13)14/h15H,4-7H2,1-3H3
InChIKeyHZHMPRDRDYGVRA-UHFFFAOYSA-N
XLogP1.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine (CID 61490781) is 1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(CCOCC(F)(F)F)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is HZHMPRDRDYGVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-8-10(6-15-3)9(2)17(16-8)4-5-18-7-11(12,13)14/h15H,4-7H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine?
1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 265.28 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 61490781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).