N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine

C12H13F3N4O — CID 12009735

IUPACN-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine
SMILESCNCc1cccc(Oc2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C12H13F3N4O/c1-16-7-8-4-3-5-10(17-8)20-11-6-9(12(13,14)15)18-19(11)2/h3-6,16H,7H2,1-2H3
InChIKeyOUOJFVPIMWAMAT-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.35
Rot. Bonds4

About N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine

N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine (PubChem CID 12009735) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine
PubChem CID12009735
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC NameN-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine
SMILESCNCc1cccc(Oc2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C12H13F3N4O/c1-16-7-8-4-3-5-10(17-8)20-11-6-9(12(13,14)15)18-19(11)2/h3-6,16H,7H2,1-2H3
InChIKeyOUOJFVPIMWAMAT-UHFFFAOYSA-N
XLogP2.35
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine (CID 12009735) is N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine is CNCc1cccc(Oc2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine?
The InChIKey is OUOJFVPIMWAMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-16-7-8-4-3-5-10(17-8)20-11-6-9(12(13,14)15)18-19(11)2/h3-6,16H,7H2,1-2H3.
What are the key properties of N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine?
N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine has a molecular weight of 286.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methanamine is sourced from PubChem (CID 12009735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).