1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C8H9N3OS — CID 43237179

IUPAC1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(N)=O)cc12
InChIInChI=1S/C8H9N3OS/c1-4-5-3-6(7(9)12)13-8(5)11(2)10-4/h3H,1-2H3,(H2,9,12)
InChIKeyGGDSNCJKPWDFQP-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.04
Rot. Bonds1

About 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 43237179) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID43237179
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(N)=O)cc12
InChIInChI=1S/C8H9N3OS/c1-4-5-3-6(7(9)12)13-8(5)11(2)10-4/h3H,1-2H3,(H2,9,12)
InChIKeyGGDSNCJKPWDFQP-UHFFFAOYSA-N
XLogP1.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 43237179) is 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(N)=O)cc12.
What is the InChIKey of 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GGDSNCJKPWDFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-4-5-3-6(7(9)12)13-8(5)11(2)10-4/h3H,1-2H3,(H2,9,12).
What are the key properties of 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 195.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 43237179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).