(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone

C20H20N4O2 — CID 71798583

IUPAC(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C20H20N4O2/c25-20(18-14-17(22-23-18)15-6-2-1-3-7-15)24-12-9-16(10-13-24)26-19-8-4-5-11-21-19/h1-8,11,14,16H,9-10,12-13H2,(H,22,23)
InChIKeyWNNHNUDMNKESSP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.16
Rot. Bonds4

About (3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone

(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone (PubChem CID 71798583) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
PubChem CID71798583
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C20H20N4O2/c25-20(18-14-17(22-23-18)15-6-2-1-3-7-15)24-12-9-16(10-13-24)26-19-8-4-5-11-21-19/h1-8,11,14,16H,9-10,12-13H2,(H,22,23)
InChIKeyWNNHNUDMNKESSP-UHFFFAOYSA-N
XLogP3.16
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
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[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195501
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
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[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161197
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
3-(4-pyridin-2-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 71798576
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone (CID 71798583) is (3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(Oc2ccccn2)CC1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is WNNHNUDMNKESSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(18-14-17(22-23-18)15-6-2-1-3-7-15)24-12-9-16(10-13-24)26-19-8-4-5-11-21-19/h1-8,11,14,16H,9-10,12-13H2,(H,22,23).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone?
(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 71798583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).