2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C17H21N3O2 — CID 56704504

IUPAC2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(O)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1
InChIInChI=1S/C17H21N3O2/c1-12(21)17(22)20-9-7-14(8-10-20)16-15(11-18-19-16)13-5-3-2-4-6-13/h2-6,11-12,14,21H,7-10H2,1H3,(H,18,19)
InChIKeyXOXCJLVORFZUJR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.16
Rot. Bonds3

About 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 56704504) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID56704504
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(O)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1
InChIInChI=1S/C17H21N3O2/c1-12(21)17(22)20-9-7-14(8-10-20)16-15(11-18-19-16)13-5-3-2-4-6-13/h2-6,11-12,14,21H,7-10H2,1H3,(H,18,19)
InChIKeyXOXCJLVORFZUJR-UHFFFAOYSA-N
XLogP2.16
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11339151, Example 19
CID 156540514
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
1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-hydroxyethanone
CID 56749718
(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
(4aS,7aS)-4-(2-methoxyethyl)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 110140010
2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1-ethanone
CID 53185511
6-methyl-3-({4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-piperidinyl}carbonyl)-2-pyridinol
CID 56738964
1-(3-Benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxypropan-1-one
CID 56744280
1-(3-Benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-hydroxybutan-1-one
CID 56756274

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 56704504) is 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is CC(O)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is XOXCJLVORFZUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(21)17(22)20-9-7-14(8-10-20)16-15(11-18-19-16)13-5-3-2-4-6-13/h2-6,11-12,14,21H,7-10H2,1H3,(H,18,19).
What are the key properties of 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56704504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).