3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole

C7H10N2S — CID 58961072

IUPAC3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole
SMILESCc1[nH]nc2c1CCSC2
InChIInChI=1S/C7H10N2S/c1-5-6-2-3-10-4-7(6)9-8-5/h2-4H2,1H3,(H,8,9)
InChIKeyVRYRCTFEBAJPSD-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.51
Rot. Bonds

About 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole

3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole (PubChem CID 58961072) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole.

Molecular Properties

Compound Name3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole
PubChem CID58961072
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole
SMILESCc1[nH]nc2c1CCSC2
InChIInChI=1S/C7H10N2S/c1-5-6-2-3-10-4-7(6)9-8-5/h2-4H2,1H3,(H,8,9)
InChIKeyVRYRCTFEBAJPSD-UHFFFAOYSA-N
XLogP1.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole?
The IUPAC name of 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole (CID 58961072) is 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole.
What is the SMILES notation for 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole?
The canonical SMILES for 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole is Cc1[nH]nc2c1CCSC2.
What is the InChIKey of 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole?
The InChIKey is VRYRCTFEBAJPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-5-6-2-3-10-4-7(6)9-8-5/h2-4H2,1H3,(H,8,9).
What are the key properties of 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole?
3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole has a molecular weight of 154.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole is sourced from PubChem (CID 58961072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).