3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine

C22H26N4O — CID 67460818

IUPAC3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine
SMILESc1ccc(COc2nn(CCN3CCCCC3)cc2-c2cccnc2)cc1
InChIInChI=1S/C22H26N4O/c1-3-8-19(9-4-1)18-27-22-21(20-10-7-11-23-16-20)17-26(24-22)15-14-25-12-5-2-6-13-25/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2
InChIKeyKRONCQXNYYVVRU-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.01
Rot. Bonds7

About 3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine

3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine (PubChem CID 67460818) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine
PubChem CID67460818
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine
SMILESc1ccc(COc2nn(CCN3CCCCC3)cc2-c2cccnc2)cc1
InChIInChI=1S/C22H26N4O/c1-3-8-19(9-4-1)18-27-22-21(20-10-7-11-23-16-20)17-26(24-22)15-14-25-12-5-2-6-13-25/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2
InChIKeyKRONCQXNYYVVRU-UHFFFAOYSA-N
XLogP4.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-phenyl-3-phenylmethoxypyrazole
CID 174513301
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CID 70096862
1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole
CID 67014219
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
oxalic acid;1-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
CID 67459493
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 70125549
3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine
CID 70813138
(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92574804
3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine
CID 70128353
9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline
CID 87439588

Frequently Asked Questions

What is the IUPAC name of 3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine?
The IUPAC name of 3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine (CID 67460818) is 3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine is c1ccc(COc2nn(CCN3CCCCC3)cc2-c2cccnc2)cc1.
What is the InChIKey of 3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine?
The InChIKey is KRONCQXNYYVVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-8-19(9-4-1)18-27-22-21(20-10-7-11-23-16-20)17-26(24-22)15-14-25-12-5-2-6-13-25/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2.
What are the key properties of 3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine?
3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine has a molecular weight of 362.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67460818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).