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

C8H12N2O — CID 121291960

IUPAC1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCCn1ncc2c1COCC2
InChIInChI=1S/C8H12N2O/c1-2-10-8-6-11-4-3-7(8)5-9-10/h5H,2-4,6H2,1H3
InChIKeyNDFJTVPUADIBCR-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.98
Rot. Bonds1

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

1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (PubChem CID 121291960) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
PubChem CID121291960
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCCn1ncc2c1COCC2
InChIInChI=1S/C8H12N2O/c1-2-10-8-6-11-4-3-7(8)5-9-10/h5H,2-4,6H2,1H3
InChIKeyNDFJTVPUADIBCR-UHFFFAOYSA-N
XLogP0.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5,7-dihydro-4H-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 1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The IUPAC name of 1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (CID 121291960) is 1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.
What is the SMILES notation for 1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The canonical SMILES for 1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is CCn1ncc2c1COCC2.
What is the InChIKey of 1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The InChIKey is NDFJTVPUADIBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-10-8-6-11-4-3-7(8)5-9-10/h5H,2-4,6H2,1H3.
What are the key properties of 1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole has a molecular weight of 152.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is sourced from PubChem (CID 121291960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).