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

C16H14FN3 — CID 141348308

IUPAC3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine
SMILESCc1cc(F)cc(Cn2cc(-c3cccnc3)cn2)c1
InChIInChI=1S/C16H14FN3/c1-12-5-13(7-16(17)6-12)10-20-11-15(9-19-20)14-3-2-4-18-8-14/h2-9,11H,10H2,1H3
InChIKeyRQIZLJXSPGESBE-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.44
Rot. Bonds3

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

3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine (PubChem CID 141348308) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine
PubChem CID141348308
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine
SMILESCc1cc(F)cc(Cn2cc(-c3cccnc3)cn2)c1
InChIInChI=1S/C16H14FN3/c1-12-5-13(7-16(17)6-12)10-20-11-15(9-19-20)14-3-2-4-18-8-14/h2-9,11H,10H2,1H3
InChIKeyRQIZLJXSPGESBE-UHFFFAOYSA-N
XLogP3.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 79700254
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338628
3-[1-[(3-chloro-5-fluorophenyl)methyl]-4-methylimidazol-2-yl]pyridine
CID 118416853
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 166336459
1-[(3-bromo-5-fluorophenyl)methyl]-4-(2-iodophenyl)pyrazole
CID 79784159
4-[3-(4-pyridin-3-ylpyrazol-1-yl)propyl]morpholine
CID 141300555
2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide
CID 121213947
3-[3-methyl-5-(4-methylphenyl)phenyl]pyridine
CID 130388822
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338073
4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine
CID 123700183
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]ethanone
CID 83811631

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine?
The IUPAC name of 3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine (CID 141348308) is 3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine.
What is the SMILES notation for 3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine?
The canonical SMILES for 3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine is Cc1cc(F)cc(Cn2cc(-c3cccnc3)cn2)c1.
What is the InChIKey of 3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine?
The InChIKey is RQIZLJXSPGESBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-12-5-13(7-16(17)6-12)10-20-11-15(9-19-20)14-3-2-4-18-8-14/h2-9,11H,10H2,1H3.
What are the key properties of 3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine?
3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine has a molecular weight of 267.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine is sourced from PubChem (CID 141348308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).