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

C11H14F3N5O — CID 122167862

IUPAC3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
SMILESCOc1nn(C)cc1NCc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H14F3N5O/c1-18-6-9(10(17-18)20-2)15-3-8-4-16-19(5-8)7-11(12,13)14/h4-6,15H,3,7H2,1-2H3
InChIKeyGTNCNGKEUDODCI-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.80
Rot. Bonds5

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

3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine (PubChem CID 122167862) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
PubChem CID122167862
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
SMILESCOc1nn(C)cc1NCc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H14F3N5O/c1-18-6-9(10(17-18)20-2)15-3-8-4-16-19(5-8)7-11(12,13)14/h4-6,15H,3,7H2,1-2H3
InChIKeyGTNCNGKEUDODCI-UHFFFAOYSA-N
XLogP1.80
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
The IUPAC name of 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine (CID 122167862) is 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine is COc1nn(C)cc1NCc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
The InChIKey is GTNCNGKEUDODCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c1-18-6-9(10(17-18)20-2)15-3-8-4-16-19(5-8)7-11(12,13)14/h4-6,15H,3,7H2,1-2H3.
What are the key properties of 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine?
3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine has a molecular weight of 289.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 122167862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).