1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone

C17H21N3O2 — CID 56749718

IUPAC1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCCC(c2[nH]ncc2Cc2ccccc2)C1
InChIInChI=1S/C17H21N3O2/c21-12-16(22)20-8-4-7-14(11-20)17-15(10-18-19-17)9-13-5-2-1-3-6-13/h1-3,5-6,10,14,21H,4,7-9,11-12H2,(H,18,19)
InChIKeyKKABDLAQEDYSMH-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.70
Rot. Bonds4

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

1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone (PubChem CID 56749718) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone
PubChem CID56749718
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCCC(c2[nH]ncc2Cc2ccccc2)C1
InChIInChI=1S/C17H21N3O2/c21-12-16(22)20-8-4-7-14(11-20)17-15(10-18-19-17)9-13-5-2-1-3-6-13/h1-3,5-6,10,14,21H,4,7-9,11-12H2,(H,18,19)
InChIKeyKKABDLAQEDYSMH-UHFFFAOYSA-N
XLogP1.70
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{Benzyl-[5-(4-fluoro-phenyl)-1H-pyrazol-4-ylmethyl]-amino}-ethanol
CID 644634
4-[(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)carbonyl]morpholine
CID 16190916
4-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl}morpholine
CID 1487678
2-(benzyl{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}amino)ethanol
CID 644635
2-{1-benzyl-4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-2-yl}ethanol
CID 16190030
1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53554428
1-[4-[[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53555338
2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56704504
(2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56753036
(2R)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56754211
(3S*,4R*)-4-(hydroxymethyl)-1-[4-(1H-pyrazol-3-yl)benzoyl]-3-piperidinol
CID 56901223
2-methoxy-1-[3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 110226195

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone (CID 56749718) is 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone is O=C(CO)N1CCCC(c2[nH]ncc2Cc2ccccc2)C1.
What is the InChIKey of 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is KKABDLAQEDYSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-12-16(22)20-8-4-7-14(11-20)17-15(10-18-19-17)9-13-5-2-1-3-6-13/h1-3,5-6,10,14,21H,4,7-9,11-12H2,(H,18,19).
What are the key properties of 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone?
1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 299.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 56749718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).