4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine

C16H12F3N3 — CID 54002940

IUPAC4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCc1cccc(-c2cc(C(F)(F)F)nn2-c2ccncc2)c1
InChIInChI=1S/C16H12F3N3/c1-11-3-2-4-12(9-11)14-10-15(16(17,18)19)21-22(14)13-5-7-20-8-6-13/h2-10H,1H3
InChIKeyKMWOBQTYXUMGDO-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.26
Rot. Bonds2

About 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine

4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 54002940) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID54002940
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCc1cccc(-c2cc(C(F)(F)F)nn2-c2ccncc2)c1
InChIInChI=1S/C16H12F3N3/c1-11-3-2-4-12(9-11)14-10-15(16(17,18)19)21-22(14)13-5-7-20-8-6-13/h2-10H,1H3
InChIKeyKMWOBQTYXUMGDO-UHFFFAOYSA-N
XLogP4.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-ylpyridine
CID 139199315
[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 21090692
2-methyl-5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 89423560
sodium 4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfinate
CID 70297444
bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);bis(4-(2-pyridin-4-ylethyl)pyridine)
CID 139199317
4-(3-methyl-5-phenylpyrazol-1-yl)pyridine
CID 12069784
5-(4-methyl-3-nitrophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 22086569
4-[1-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-methylphenol
CID 136639545
4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10021928
S-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiohydroxylamine
CID 145117691
N-(3-methylphenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 18832586
5-(3-ethyl-4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 18338144

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 54002940) is 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine is Cc1cccc(-c2cc(C(F)(F)F)nn2-c2ccncc2)c1.
What is the InChIKey of 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is KMWOBQTYXUMGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-11-3-2-4-12(9-11)14-10-15(16(17,18)19)21-22(14)13-5-7-20-8-6-13/h2-10H,1H3.
What are the key properties of 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 303.29 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 54002940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).