(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone

C17H21N3O2 — CID 47911164

IUPAC(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C17H21N3O2/c1-2-22-14-9-6-10-20(12-14)17(21)16-11-15(18-19-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,18,19)
InChIKeyPULRIXXNRVCPPD-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.72
Rot. Bonds4

About (3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone

(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 47911164) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID47911164
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C17H21N3O2/c1-2-22-14-9-6-10-20(12-14)17(21)16-11-15(18-19-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,18,19)
InChIKeyPULRIXXNRVCPPD-UHFFFAOYSA-N
XLogP2.72
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90639018
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone
CID 154850398
[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 20918150
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
ethyl (3R)-1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 51939226
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
methyl 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264279
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90636845
ethyl 1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 46920428
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 91919425
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 94199651

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 47911164) is (3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone is CCOC1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is PULRIXXNRVCPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-22-14-9-6-10-20(12-14)17(21)16-11-15(18-19-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,18,19).
What are the key properties of (3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 47911164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).