3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine

C16H12F3N3O — CID 135235807

IUPAC3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCn1nccc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O/c1-22-14(8-10-21-22)13-3-2-9-20-15(13)23-12-6-4-11(5-7-12)16(17,18)19/h2-10H,1H3
InChIKeyRMMDECBCBYABDH-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.29
Rot. Bonds3

About 3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine

3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine (PubChem CID 135235807) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
PubChem CID135235807
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCn1nccc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O/c1-22-14(8-10-21-22)13-3-2-9-20-15(13)23-12-6-4-11(5-7-12)16(17,18)19/h2-10H,1H3
InChIKeyRMMDECBCBYABDH-UHFFFAOYSA-N
XLogP4.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809
6-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]isoquinolin-1-amine
CID 169108194
3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
CID 135246459
3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine
CID 135246966
7-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyrazolo[1,5-a]pyridine
CID 135235659
3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
CID 117190489
5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole
CID 117260362
3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 135246990
[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
CID 141484570
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 24816267
7-(2-methylpyrazol-3-yl)-1,3-benzoxazole
CID 166273345
N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline
CID 135235795

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine (CID 135235807) is 3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine is Cn1nccc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is RMMDECBCBYABDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-22-14(8-10-21-22)13-3-2-9-20-15(13)23-12-6-4-11(5-7-12)16(17,18)19/h2-10H,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 319.29 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 135235807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).