3-phenyl-1H-thieno[3,2-c]pyrazole

C11H8N2S — CID 15717787

IUPAC3-phenyl-1H-thieno[3,2-c]pyrazole
SMILESc1ccc(-c2n[nH]c3ccsc23)cc1
InChIInChI=1S/C11H8N2S/c1-2-4-8(5-3-1)10-11-9(12-13-10)6-7-14-11/h1-7H,(H,12,13)
InChIKeyBJWWHDAQGDJZKY-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 3-phenyl-1H-thieno[3,2-c]pyrazole

3-phenyl-1H-thieno[3,2-c]pyrazole (PubChem CID 15717787) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 3-phenyl-1H-thieno[3,2-c]pyrazole.

Molecular Properties

Compound Name3-phenyl-1H-thieno[3,2-c]pyrazole
PubChem CID15717787
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name3-phenyl-1H-thieno[3,2-c]pyrazole
SMILESc1ccc(-c2n[nH]c3ccsc23)cc1
InChIInChI=1S/C11H8N2S/c1-2-4-8(5-3-1)10-11-9(12-13-10)6-7-14-11/h1-7H,(H,12,13)
InChIKeyBJWWHDAQGDJZKY-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-thieno[3,2-c]pyrazole?
The IUPAC name of 3-phenyl-1H-thieno[3,2-c]pyrazole (CID 15717787) is 3-phenyl-1H-thieno[3,2-c]pyrazole.
What is the SMILES notation for 3-phenyl-1H-thieno[3,2-c]pyrazole?
The canonical SMILES for 3-phenyl-1H-thieno[3,2-c]pyrazole is c1ccc(-c2n[nH]c3ccsc23)cc1.
What is the InChIKey of 3-phenyl-1H-thieno[3,2-c]pyrazole?
The InChIKey is BJWWHDAQGDJZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-4-8(5-3-1)10-11-9(12-13-10)6-7-14-11/h1-7H,(H,12,13).
What are the key properties of 3-phenyl-1H-thieno[3,2-c]pyrazole?
3-phenyl-1H-thieno[3,2-c]pyrazole has a molecular weight of 200.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-thieno[3,2-c]pyrazole is sourced from PubChem (CID 15717787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).