2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine

C18H16F3N3O2 — CID 18974746

IUPAC2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCc1cccc(OCc2cccc(Oc3cc(C(F)(F)F)nn3C)n2)c1
InChIInChI=1S/C18H16F3N3O2/c1-12-5-3-7-14(9-12)25-11-13-6-4-8-16(22-13)26-17-10-15(18(19,20)21)23-24(17)2/h3-10H,11H2,1-2H3
InChIKeySUZNBFJEMUZPDX-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.51
Rot. Bonds5

About 2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine

2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (PubChem CID 18974746) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.

Molecular Properties

Compound Name2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
PubChem CID18974746
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCc1cccc(OCc2cccc(Oc3cc(C(F)(F)F)nn3C)n2)c1
InChIInChI=1S/C18H16F3N3O2/c1-12-5-3-7-14(9-12)25-11-13-6-4-8-16(22-13)26-17-10-15(18(19,20)21)23-24(17)2/h3-10H,11H2,1-2H3
InChIKeySUZNBFJEMUZPDX-UHFFFAOYSA-N
XLogP4.51
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Jnj-42259152
CID 51353528
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
CID 53465404
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466372
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466374
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-(trifluoromethyl)pyridine
CID 53466378
3-Fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466523
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 53466526
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methoxypyridine
CID 53466529
(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 95289236
2-[(2,6-Difluorophenyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 71105372
5-fluoro-6-(2-(4-fluoro-3-(1-methyl-1H-pyrazol-5-yl)phenoxy)ethoxy) nicotinonitrile
CID 138471353

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The IUPAC name of 2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (CID 18974746) is 2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.
What is the SMILES notation for 2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The canonical SMILES for 2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is Cc1cccc(OCc2cccc(Oc3cc(C(F)(F)F)nn3C)n2)c1.
What is the InChIKey of 2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The InChIKey is SUZNBFJEMUZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-12-5-3-7-14(9-12)25-11-13-6-4-8-16(22-13)26-17-10-15(18(19,20)21)23-24(17)2/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine has a molecular weight of 363.34 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is sourced from PubChem (CID 18974746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).