N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine

C12H13F3N4O — CID 102720060

IUPACN-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C12H13F3N4O/c1-3-16-9-5-8(12(13,14)15)6-10(17-9)20-11-4-7(2)18-19-11/h4-6H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPTJAYGBIXYZVBN-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.36
Rot. Bonds4

About N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine

N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720060) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720060
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC NameN-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C12H13F3N4O/c1-3-16-9-5-8(12(13,14)15)6-10(17-9)20-11-4-7(2)18-19-11/h4-6H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPTJAYGBIXYZVBN-UHFFFAOYSA-N
XLogP3.36
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine (CID 102720060) is N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(Oc2cc(C)[nH]n2)n1.
What is the InChIKey of N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PTJAYGBIXYZVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-3-16-9-5-8(12(13,14)15)6-10(17-9)20-11-4-7(2)18-19-11/h4-6H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 286.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).