2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine

C16H14FN3 — CID 59281597

IUPAC2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine
SMILESCc1cc(-c2ccc(F)cc2)n(Cc2ccccn2)n1
InChIInChI=1S/C16H14FN3/c1-12-10-16(13-5-7-14(17)8-6-13)20(19-12)11-15-4-2-3-9-18-15/h2-10H,11H2,1H3
InChIKeyQRRBDLFUDWOUOP-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.44
Rot. Bonds3

About 2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine

2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine (PubChem CID 59281597) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine
PubChem CID59281597
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine
SMILESCc1cc(-c2ccc(F)cc2)n(Cc2ccccn2)n1
InChIInChI=1S/C16H14FN3/c1-12-10-16(13-5-7-14(17)8-6-13)20(19-12)11-15-4-2-3-9-18-15/h2-10H,11H2,1H3
InChIKeyQRRBDLFUDWOUOP-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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine?
The IUPAC name of 2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine (CID 59281597) is 2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine is Cc1cc(-c2ccc(F)cc2)n(Cc2ccccn2)n1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine?
The InChIKey is QRRBDLFUDWOUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-12-10-16(13-5-7-14(17)8-6-13)20(19-12)11-15-4-2-3-9-18-15/h2-10H,11H2,1H3.
What are the key properties of 2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine?
2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]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 2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 59281597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).