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

C11H11F3N4O — CID 102720059

IUPACN-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C11H11F3N4O/c1-6-3-10(18-17-6)19-9-5-7(11(12,13)14)4-8(15-2)16-9/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKeyAQZADBUTTJOHPO-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.97
Rot. Bonds3

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

N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720059) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720059
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC NameN-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C11H11F3N4O/c1-6-3-10(18-17-6)19-9-5-7(11(12,13)14)4-8(15-2)16-9/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKeyAQZADBUTTJOHPO-UHFFFAOYSA-N
XLogP2.97
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine (CID 102720059) is N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(Oc2cc(C)[nH]n2)n1.
What is the InChIKey of N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AQZADBUTTJOHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-6-3-10(18-17-6)19-9-5-7(11(12,13)14)4-8(15-2)16-9/h3-5H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 272.23 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).