1-(1H-pyrazol-4-yl)piperidin-2-one

C8H11N3O — CID 146598104

IUPAC1-(1H-pyrazol-4-yl)piperidin-2-one
SMILESO=C1CCCCN1c1cn[nH]c1
InChIInChI=1S/C8H11N3O/c12-8-3-1-2-4-11(8)7-5-9-10-6-7/h5-6H,1-4H2,(H,9,10)
InChIKeyXEWTXPDTFWXOHO-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.93
Rot. Bonds1

About 1-(1H-pyrazol-4-yl)piperidin-2-one

1-(1H-pyrazol-4-yl)piperidin-2-one (PubChem CID 146598104) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)piperidin-2-one
PubChem CID146598104
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(1H-pyrazol-4-yl)piperidin-2-one
SMILESO=C1CCCCN1c1cn[nH]c1
InChIInChI=1S/C8H11N3O/c12-8-3-1-2-4-11(8)7-5-9-10-6-7/h5-6H,1-4H2,(H,9,10)
InChIKeyXEWTXPDTFWXOHO-UHFFFAOYSA-N
XLogP0.93
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1h-Pyrazol-4-yl)pyrrolidin-2-one
CID 134691297
4-methyl-2-(2-oxopiperidin-1-yl)-N-(1H-pyrazol-4-yl)pentanamide
CID 71972608
1-(1H-pyrazol-4-yl)piperidine
CID 12887456
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
1-fluoro-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 130616395
N-(1H-pyrazol-4-yl)butanamide
CID 13450485
2-piperidin-1-yl-N-(1H-pyrazol-4-yl)acetamide
CID 20784696
N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 20784955
N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 20784960
N-(1H-pyrazol-4-yl)pentanamide
CID 43429429
2-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 43430720
N-(1H-pyrazol-4-yl)piperidine-3-carboxamide
CID 43540268

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)piperidin-2-one?
The IUPAC name of 1-(1H-pyrazol-4-yl)piperidin-2-one (CID 146598104) is 1-(1H-pyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 1-(1H-pyrazol-4-yl)piperidin-2-one is O=C1CCCCN1c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)piperidin-2-one?
The InChIKey is XEWTXPDTFWXOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-3-1-2-4-11(8)7-5-9-10-6-7/h5-6H,1-4H2,(H,9,10).
What are the key properties of 1-(1H-pyrazol-4-yl)piperidin-2-one?
1-(1H-pyrazol-4-yl)piperidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 146598104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).