[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C22H24N4O2 — CID 70706141

IUPAC[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCCC(c2[nH]ncc2Cc2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-28-21-19(10-5-11-23-21)22(27)26-12-6-9-17(15-26)20-18(14-24-25-20)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,14,17H,6,9,12-13,15H2,1H3,(H,24,25)
InChIKeyQCZICXLHFODVDU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.42
Rot. Bonds5

About [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 70706141) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID70706141
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCCC(c2[nH]ncc2Cc2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-28-21-19(10-5-11-23-21)22(27)26-12-6-9-17(15-26)20-18(14-24-25-20)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,14,17H,6,9,12-13,15H2,1H3,(H,24,25)
InChIKeyQCZICXLHFODVDU-UHFFFAOYSA-N
XLogP3.42
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 70706141) is [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCCC(c2[nH]ncc2Cc2ccccc2)C1.
What is the InChIKey of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is QCZICXLHFODVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-21-19(10-5-11-23-21)22(27)26-12-6-9-17(15-26)20-18(14-24-25-20)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,14,17H,6,9,12-13,15H2,1H3,(H,24,25).
What are the key properties of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 376.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 70706141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).