(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone

C17H21N3O2 — CID 35325384

IUPAC(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
SMILESCC1CCN(C(=O)c2ccn(COc3ccccc3)n2)CC1
InChIInChI=1S/C17H21N3O2/c1-14-7-10-19(11-8-14)17(21)16-9-12-20(18-16)13-22-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3
InChIKeyGEBBGVRKRXZBHR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.79
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone

(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone (PubChem CID 35325384) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
PubChem CID35325384
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
SMILESCC1CCN(C(=O)c2ccn(COc3ccccc3)n2)CC1
InChIInChI=1S/C17H21N3O2/c1-14-7-10-19(11-8-14)17(21)16-9-12-20(18-16)13-22-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3
InChIKeyGEBBGVRKRXZBHR-UHFFFAOYSA-N
XLogP2.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-methoxyphenyl)-ethyl]piperazin-1-yl}methanone
CID 24811073
3-(2-Methoxy-phenylcarbamoyl)-pyrazole-1-carboxylic acid butyl ester
CID 654121
5-(4-methoxybenzyl)-4-oxo-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 1474584
2-(4-methoxyphenyl)-5-[2-(4-methylpiperazino)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
CID 22513119
N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 46883830
N-ethyl-1-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 46883832
{1-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}(3-methoxyphenyl)methanone
CID 16189157
(4-methoxy-3,5-dimethylphenyl){1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}methanone
CID 16189800
2-(4-Methoxyphenyl)-5-[2-oxo-2-(piperidin-1-YL)ethyl]-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-4-one
CID 20953583

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone (CID 35325384) is (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone is CC1CCN(C(=O)c2ccn(COc3ccccc3)n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
The InChIKey is GEBBGVRKRXZBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14-7-10-19(11-8-14)17(21)16-9-12-20(18-16)13-22-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 35325384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).