6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine

C17H16FN3 — CID 175294542

IUPAC6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine
SMILESCc1cc(-c2ccc(Cn3cccn3)c(C)n2)ccc1F
InChIInChI=1S/C17H16FN3/c1-12-10-14(4-6-16(12)18)17-7-5-15(13(2)20-17)11-21-9-3-8-19-21/h3-10H,11H2,1-2H3
InChIKeyYYLCJDQFKGSNFQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.75
Rot. Bonds3

About 6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine

6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine (PubChem CID 175294542) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine
PubChem CID175294542
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine
SMILESCc1cc(-c2ccc(Cn3cccn3)c(C)n2)ccc1F
InChIInChI=1S/C17H16FN3/c1-12-10-14(4-6-16(12)18)17-7-5-15(13(2)20-17)11-21-9-3-8-19-21/h3-10H,11H2,1-2H3
InChIKeyYYLCJDQFKGSNFQ-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine
CID 162719391
3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine
CID 175294448
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903120
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole
CID 174113164
6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46480790
3-fluoro-4-(pyrazol-1-ylmethyl)benzenecarbothioamide
CID 24700558
1-[(2,6-dimethylphenyl)methyl]pyrazole
CID 79032553
[1-ethyl-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]methanol
CID 86688151
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
2-(3-chloro-4-fluorophenyl)-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine
CID 175294520
N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630593
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93350969

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine (CID 175294542) is 6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine is Cc1cc(-c2ccc(Cn3cccn3)c(C)n2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine?
The InChIKey is YYLCJDQFKGSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-10-14(4-6-16(12)18)17-7-5-15(13(2)20-17)11-21-9-3-8-19-21/h3-10H,11H2,1-2H3.
What are the key properties of 6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine?
6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine has a molecular weight of 281.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine is sourced from PubChem (CID 175294542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).