3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole

C15H12N2S — CID 71031828

IUPAC3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole
SMILESc1ccc2cc(-c3[nH]nc4c3CCS4)ccc2c1
InChIInChI=1S/C15H12N2S/c1-2-4-11-9-12(6-5-10(11)3-1)14-13-7-8-18-15(13)17-16-14/h1-6,9H,7-8H2,(H,16,17)
InChIKeyWXBIPBRHVHVWGO-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.88
Rot. Bonds1

About 3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole

3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole (PubChem CID 71031828) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole
PubChem CID71031828
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole
SMILESc1ccc2cc(-c3[nH]nc4c3CCS4)ccc2c1
InChIInChI=1S/C15H12N2S/c1-2-4-11-9-12(6-5-10(11)3-1)14-13-7-8-18-15(13)17-16-14/h1-6,9H,7-8H2,(H,16,17)
InChIKeyWXBIPBRHVHVWGO-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole?
The IUPAC name of 3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole (CID 71031828) is 3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole.
What is the SMILES notation for 3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole?
The canonical SMILES for 3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole is c1ccc2cc(-c3[nH]nc4c3CCS4)ccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole?
The InChIKey is WXBIPBRHVHVWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-4-11-9-12(6-5-10(11)3-1)14-13-7-8-18-15(13)17-16-14/h1-6,9H,7-8H2,(H,16,17).
What are the key properties of 3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole?
3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole has a molecular weight of 252.34 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole is sourced from PubChem (CID 71031828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).