1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one

C17H23N3O — CID 11507500

IUPAC1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
SMILESCc1c(CN2CCCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H23N3O/c1-14-16(13-19-11-7-4-8-12-19)17(21)20(18(14)2)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyUGVKCGAEEVEXPY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.47
Rot. Bonds3

About 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one

1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one (PubChem CID 11507500) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
PubChem CID11507500
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
SMILESCc1c(CN2CCCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H23N3O/c1-14-16(13-19-11-7-4-8-12-19)17(21)20(18(14)2)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyUGVKCGAEEVEXPY-UHFFFAOYSA-N
XLogP2.47
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one?
The IUPAC name of 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one (CID 11507500) is 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one is Cc1c(CN2CCCCC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one?
The InChIKey is UGVKCGAEEVEXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-16(13-19-11-7-4-8-12-19)17(21)20(18(14)2)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3.
What are the key properties of 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one?
1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one has a molecular weight of 285.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one is sourced from PubChem (CID 11507500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).