4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione

C14H21N3O2 — CID 112671523

IUPAC4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCCc1nn(C)cc1C1CC(=O)NC(=O)C1C(C)C
InChIInChI=1S/C14H21N3O2/c1-5-11-10(7-17(4)16-11)9-6-12(18)15-14(19)13(9)8(2)3/h7-9,13H,5-6H2,1-4H3,(H,15,18,19)
InChIKeyOPKOIBGGYVNCTI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.38
Rot. Bonds3

About 4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione

4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 112671523) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione
PubChem CID112671523
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCCc1nn(C)cc1C1CC(=O)NC(=O)C1C(C)C
InChIInChI=1S/C14H21N3O2/c1-5-11-10(7-17(4)16-11)9-6-12(18)15-14(19)13(9)8(2)3/h7-9,13H,5-6H2,1-4H3,(H,15,18,19)
InChIKeyOPKOIBGGYVNCTI-UHFFFAOYSA-N
XLogP1.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320168
5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one
CID 112671694
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 112668716
4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole
CID 112671681
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
4-(2,4-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79321149
4-(3,5-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 106534521
N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894268
4-(2,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310292
4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310088
4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320367
3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione
CID 79321429

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione (CID 112671523) is 4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione is CCc1nn(C)cc1C1CC(=O)NC(=O)C1C(C)C.
What is the InChIKey of 4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is OPKOIBGGYVNCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-5-11-10(7-17(4)16-11)9-6-12(18)15-14(19)13(9)8(2)3/h7-9,13H,5-6H2,1-4H3,(H,15,18,19).
What are the key properties of 4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione?
4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 263.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 112671523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).