1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide

C7H10N2OS — CID 130251291

IUPAC1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide
SMILESCn1ncc2c1CCCS2=O
InChIInChI=1S/C7H10N2OS/c1-9-6-3-2-4-11(10)7(6)5-8-9/h5H,2-4H2,1H3
InChIKeySNQIJCPXFVNEPC-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.47
Rot. Bonds

About 1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide

1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide (PubChem CID 130251291) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide.

Molecular Properties

Compound Name1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide
PubChem CID130251291
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide
SMILESCn1ncc2c1CCCS2=O
InChIInChI=1S/C7H10N2OS/c1-9-6-3-2-4-11(10)7(6)5-8-9/h5H,2-4H2,1H3
InChIKeySNQIJCPXFVNEPC-UHFFFAOYSA-N
XLogP0.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide 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-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide?
The IUPAC name of 1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide (CID 130251291) is 1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide.
What is the SMILES notation for 1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide?
The canonical SMILES for 1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide is Cn1ncc2c1CCCS2=O.
What is the InChIKey of 1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide?
The InChIKey is SNQIJCPXFVNEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-9-6-3-2-4-11(10)7(6)5-8-9/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide?
1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide has a molecular weight of 170.24 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide is sourced from PubChem (CID 130251291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).