1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione

C9H11N3O2 — CID 60977173

IUPAC1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1ccn[nH]1
InChIInChI=1S/C9H11N3O2/c13-8-2-1-3-9(14)12(8)6-7-4-5-10-11-7/h4-5H,1-3,6H2,(H,10,11)
InChIKeyFQEHFNWKEIKXKK-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.45
Rot. Bonds2

About 1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione

1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione (PubChem CID 60977173) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione
PubChem CID60977173
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1ccn[nH]1
InChIInChI=1S/C9H11N3O2/c13-8-2-1-3-9(14)12(8)6-7-4-5-10-11-7/h4-5H,1-3,6H2,(H,10,11)
InChIKeyFQEHFNWKEIKXKK-UHFFFAOYSA-N
XLogP0.45
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1H-pyrazol-5-ylmethyl)-4H-isoquinoline-1,3-dione
CID 60975233
(8aR)-2-(1H-pyrazol-5-ylmethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 99781573
(3aS,4aR,8aR)-2-(1H-pyrazol-5-ylmethyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 124725771
1-[3-oxo-3-[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]propyl]azepan-2-one
CID 138807961
5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 168697470
1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
CID 82416866
5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole
CID 164649717
4-(1H-pyrazol-5-ylmethyl)-1,4-thiazepane
CID 130978157
1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
CID 82128665
1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 171622315
(4aR,7aR)-4-benzyl-6-(1H-pyrazol-5-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 110112078
1-(2-pyridin-4-ylethyl)piperidine-2,6-dione
CID 86299954

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione?
The IUPAC name of 1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione (CID 60977173) is 1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione is O=C1CCCC(=O)N1Cc1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione?
The InChIKey is FQEHFNWKEIKXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-2-1-3-9(14)12(8)6-7-4-5-10-11-7/h4-5H,1-3,6H2,(H,10,11).
What are the key properties of 1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione?
1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione has a molecular weight of 193.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethyl)piperidine-2,6-dione is sourced from PubChem (CID 60977173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).