5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine

C16H11BrF3N3O — CID 141365465

IUPAC5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine
SMILESCc1ccc(-n2nccc2-c2cc(Br)cc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C16H11BrF3N3O/c1-10-2-3-13(9-21-10)23-15(4-5-22-23)11-6-12(17)8-14(7-11)24-16(18,19)20/h2-9H,1H3
InChIKeyYSMWAUMGMQGOMT-UHFFFAOYSA-N
MW398.18 g/mol
LogP4.90
Rot. Bonds3

About 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine

5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine (PubChem CID 141365465) has the molecular formula C16H11BrF3N3O and a molecular weight of 398.18 g/mol. Its IUPAC name is 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine.

Molecular Properties

Compound Name5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine
PubChem CID141365465
Molecular FormulaC16H11BrF3N3O
Molecular Weight398.18 g/mol
Exact Mass397.00
IUPAC Name5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine
SMILESCc1ccc(-n2nccc2-c2cc(Br)cc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C16H11BrF3N3O/c1-10-2-3-13(9-21-10)23-15(4-5-22-23)11-6-12(17)8-14(7-11)24-16(18,19)20/h2-9H,1H3
InChIKeyYSMWAUMGMQGOMT-UHFFFAOYSA-N
XLogP4.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.18
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine
CID 1214672
4-[3-(3-Methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine
CID 155541302
3-(Difluoromethoxy)-2-(3-methoxyphenyl)-6-(pyrazol-1-ylmethyl)pyridine
CID 172469757
2-{3-[1-(3-methoxybenzyl)-1H-pyrazol-3-yl]phenyl}-3-methylpyrazine
CID 30852160
N-[(3-bromo-4-methoxyphenyl)methyl]-1-methyl-3-pyridin-4-ylpyrazol-4-amine
CID 75439162
2-(3-Methoxyphenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 9965851
3-Bromo-2-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 17924706
2-[1-[4-(Trifluoromethoxy)phenyl]pyrazol-4-yl]pyrazine
CID 24730430
4-[5-(4-Fluoro-3-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine
CID 54222190
4-[5-(3-Fluoro-5-methoxyphenyl)-3-methylpyrazol-1-yl]pyridine
CID 54315610
2-[1-[(2-Fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine
CID 56598525
5-[5-[4-(2-Bromoethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxypyridine
CID 58806606

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine?
The IUPAC name of 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine (CID 141365465) is 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine.
What is the SMILES notation for 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine?
The canonical SMILES for 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine is Cc1ccc(-n2nccc2-c2cc(Br)cc(OC(F)(F)F)c2)cn1.
What is the InChIKey of 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine?
The InChIKey is YSMWAUMGMQGOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N3O/c1-10-2-3-13(9-21-10)23-15(4-5-22-23)11-6-12(17)8-14(7-11)24-16(18,19)20/h2-9H,1H3.
What are the key properties of 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine?
5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine has a molecular weight of 398.18 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-methylpyridine is sourced from PubChem (CID 141365465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).