2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone

C17H21N3O2 — CID 100819889

IUPAC2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone
SMILESCc1cn(-c2ccccc2)nc1OCC(=O)N1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-14-12-20(15-8-4-2-5-9-15)18-17(14)22-13-16(21)19-10-6-3-7-11-19/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyLVVVZMKGPGIFJV-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.57
Rot. Bonds4

About 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone

2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone (PubChem CID 100819889) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone
PubChem CID100819889
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone
SMILESCc1cn(-c2ccccc2)nc1OCC(=O)N1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-14-12-20(15-8-4-2-5-9-15)18-17(14)22-13-16(21)19-10-6-3-7-11-19/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyLVVVZMKGPGIFJV-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
CID 100828971
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 100819878
N-cyclopentyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxyacetamide
CID 100819839
6-[2-(azepan-1-yl)-2-oxoethoxy]-2-phenylpyridazin-3-one
CID 1485262
1-(azepan-1-yl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxypropan-1-one
CID 102567189
4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile
CID 10449619
methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate
CID 154148416
[2-(azocan-1-yl)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 9074725
2-[2-[[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 38068271
4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45320509
1-(azepan-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 134007939
1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138674

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone (CID 100819889) is 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone is Cc1cn(-c2ccccc2)nc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone?
The InChIKey is LVVVZMKGPGIFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14-12-20(15-8-4-2-5-9-15)18-17(14)22-13-16(21)19-10-6-3-7-11-19/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3.
What are the key properties of 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone?
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone has a molecular weight of 299.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 100819889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).