1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione

C12H15N3O3 — CID 167682439

IUPAC1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione
SMILESCn1nc(N2CCC(=O)CC2=O)c2c1CCOC2
InChIInChI=1S/C12H15N3O3/c1-14-10-3-5-18-7-9(10)12(13-14)15-4-2-8(16)6-11(15)17/h2-7H2,1H3
InChIKeyIYFIMTMLSKTRHN-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.19
Rot. Bonds1

About 1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione

1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione (PubChem CID 167682439) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione
PubChem CID167682439
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione
SMILESCn1nc(N2CCC(=O)CC2=O)c2c1CCOC2
InChIInChI=1S/C12H15N3O3/c1-14-10-3-5-18-7-9(10)12(13-14)15-4-2-8(16)6-11(15)17/h2-7H2,1H3
InChIKeyIYFIMTMLSKTRHN-UHFFFAOYSA-N
XLogP0.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 146072644
1-(azepan-1-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propan-1-one
CID 146071198
N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146072632
N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146071181
2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride
CID 131513935
(3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97417299
1-(2-methylpyrimidin-5-yl)piperidine-2,4-dione
CID 83819831
1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 105439556
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91915294
2-methyl-1-sulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-one
CID 114986794
N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide
CID 146073424
3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 172908850

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione?
The IUPAC name of 1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione (CID 167682439) is 1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione.
What is the SMILES notation for 1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione?
The canonical SMILES for 1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione is Cn1nc(N2CCC(=O)CC2=O)c2c1CCOC2.
What is the InChIKey of 1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione?
The InChIKey is IYFIMTMLSKTRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-14-10-3-5-18-7-9(10)12(13-14)15-4-2-8(16)6-11(15)17/h2-7H2,1H3.
What are the key properties of 1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione?
1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidine-2,4-dione is sourced from PubChem (CID 167682439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).