3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole

C11H10N2S — CID 70005985

IUPAC3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole
SMILESCc1cccc2c1sc1c(C)[nH]nc12
InChIInChI=1S/C11H10N2S/c1-6-4-3-5-8-9-11(14-10(6)8)7(2)12-13-9/h3-5H,1-2H3,(H,12,13)
InChIKeyZQWZPHOYXUBDGE-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.39
Rot. Bonds

About 3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole

3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole (PubChem CID 70005985) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole
PubChem CID70005985
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole
SMILESCc1cccc2c1sc1c(C)[nH]nc12
InChIInChI=1S/C11H10N2S/c1-6-4-3-5-8-9-11(14-10(6)8)7(2)12-13-9/h3-5H,1-2H3,(H,12,13)
InChIKeyZQWZPHOYXUBDGE-UHFFFAOYSA-N
XLogP3.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole?
The IUPAC name of 3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole (CID 70005985) is 3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole.
What is the SMILES notation for 3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole?
The canonical SMILES for 3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole is Cc1cccc2c1sc1c(C)[nH]nc12.
What is the InChIKey of 3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole?
The InChIKey is ZQWZPHOYXUBDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-6-4-3-5-8-9-11(14-10(6)8)7(2)12-13-9/h3-5H,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole?
3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole has a molecular weight of 202.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2H-[1]benzothiolo[3,2-c]pyrazole is sourced from PubChem (CID 70005985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).