4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine

C16H19N3O — CID 82865684

IUPAC4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine
SMILESCn1ccc(COc2ccc(C3=CCNCC3)cc2)n1
InChIInChI=1S/C16H19N3O/c1-19-11-8-15(18-19)12-20-16-4-2-13(3-5-16)14-6-9-17-10-7-14/h2-6,8,11,17H,7,9-10,12H2,1H3
InChIKeyGGZXPQPAJGXQAR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.38
Rot. Bonds4

About 4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine

4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 82865684) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID82865684
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine
SMILESCn1ccc(COc2ccc(C3=CCNCC3)cc2)n1
InChIInChI=1S/C16H19N3O/c1-19-11-8-15(18-19)12-20-16-4-2-13(3-5-16)14-6-9-17-10-7-14/h2-6,8,11,17H,7,9-10,12H2,1H3
InChIKeyGGZXPQPAJGXQAR-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine (CID 82865684) is 4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine is Cn1ccc(COc2ccc(C3=CCNCC3)cc2)n1.
What is the InChIKey of 4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is GGZXPQPAJGXQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-11-8-15(18-19)12-20-16-4-2-13(3-5-16)14-6-9-17-10-7-14/h2-6,8,11,17H,7,9-10,12H2,1H3.
What are the key properties of 4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine?
4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 269.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 82865684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).