3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one

C8H10N2O2 — CID 12826141

IUPAC3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one
SMILESCc1[nH]nc2c1C(=O)OC(C)C2
InChIInChI=1S/C8H10N2O2/c1-4-3-6-7(8(11)12-4)5(2)9-10-6/h4H,3H2,1-2H3,(H,9,10)
InChIKeyBESHWFADQBPFHR-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.82
Rot. Bonds

About 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one

3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one (PubChem CID 12826141) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one
PubChem CID12826141
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one
SMILESCc1[nH]nc2c1C(=O)OC(C)C2
InChIInChI=1S/C8H10N2O2/c1-4-3-6-7(8(11)12-4)5(2)9-10-6/h4H,3H2,1-2H3,(H,9,10)
InChIKeyBESHWFADQBPFHR-UHFFFAOYSA-N
XLogP0.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylate
CID 20784929
ethyl 3-cyclopentyl-5-propyl-1H-pyrazole-4-carboxylate
CID 172435055
rac-(5R,7S)-5,7-dimethyl-1H,4H,5H,7H-pyrano[3,4-c]pyrazole-3-carboxylic acid
CID 138040157
ethyl 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 69129293
3-(Difluoromethyl)-6,6-dimethyl-1,7-dihydropyrano[4,3-c]pyrazol-4-one
CID 134440032
ethyl 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 135303993
ethyl 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 150845366
ethyl 3-(1-fluoroethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxylate
CID 151408615
ethyl 3-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 24975918
ethyl 3-(2-hydroxypropyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 134975487
methyl 5-isopropyl-3-methyl-1H-pyrazole-4-carboxylate
CID 13245570
3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 21258060

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one?
The IUPAC name of 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one (CID 12826141) is 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one.
What is the SMILES notation for 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one?
The canonical SMILES for 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one is Cc1[nH]nc2c1C(=O)OC(C)C2.
What is the InChIKey of 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one?
The InChIKey is BESHWFADQBPFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-3-6-7(8(11)12-4)5(2)9-10-6/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one?
3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one has a molecular weight of 166.18 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one is sourced from PubChem (CID 12826141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).