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

C8H10N4OS — CID 2808355

IUPAC1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide
SMILESCc1nn(C)c2sc(C(=O)NN)cc12
InChIInChI=1S/C8H10N4OS/c1-4-5-3-6(7(13)10-9)14-8(5)12(2)11-4/h3H,9H2,1-2H3,(H,10,13)
InChIKeyNEQROPWNYUVRQC-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.55
Rot. Bonds1

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

1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide (PubChem CID 2808355) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide
PubChem CID2808355
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide
SMILESCc1nn(C)c2sc(C(=O)NN)cc12
InChIInChI=1S/C8H10N4OS/c1-4-5-3-6(7(13)10-9)14-8(5)12(2)11-4/h3H,9H2,1-2H3,(H,10,13)
InChIKeyNEQROPWNYUVRQC-UHFFFAOYSA-N
XLogP0.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide?
The IUPAC name of 1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide (CID 2808355) is 1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide.
What is the SMILES notation for 1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide?
The canonical SMILES for 1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide is Cc1nn(C)c2sc(C(=O)NN)cc12.
What is the InChIKey of 1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide?
The InChIKey is NEQROPWNYUVRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-4-5-3-6(7(13)10-9)14-8(5)12(2)11-4/h3H,9H2,1-2H3,(H,10,13).
What are the key properties of 1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide?
1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide has a molecular weight of 210.26 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide is sourced from PubChem (CID 2808355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).