5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole

C8H12N2O — CID 20784772

IUPAC5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole
SMILESCC1(C)Cc2cn[nH]c2CO1
InChIInChI=1S/C8H12N2O/c1-8(2)3-6-4-9-10-7(6)5-11-8/h4H,3,5H2,1-2H3,(H,9,10)
InChIKeyTUQNBMBLVLBHDW-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.26
Rot. Bonds

About 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole

5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole (PubChem CID 20784772) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole
PubChem CID20784772
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole
SMILESCC1(C)Cc2cn[nH]c2CO1
InChIInChI=1S/C8H12N2O/c1-8(2)3-6-4-9-10-7(6)5-11-8/h4H,3,5H2,1-2H3,(H,9,10)
InChIKeyTUQNBMBLVLBHDW-UHFFFAOYSA-N
XLogP1.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole?
The IUPAC name of 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole (CID 20784772) is 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole.
What is the SMILES notation for 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole?
The canonical SMILES for 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole is CC1(C)Cc2cn[nH]c2CO1.
What is the InChIKey of 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole?
The InChIKey is TUQNBMBLVLBHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(2)3-6-4-9-10-7(6)5-11-8/h4H,3,5H2,1-2H3,(H,9,10).
What are the key properties of 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole?
5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole has a molecular weight of 152.20 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole is sourced from PubChem (CID 20784772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).