6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole

C12H10N2 — CID 142940477

IUPAC6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole
SMILESC=Cc1ccc2c(c1)Cc1cn[nH]c1-2
InChIInChI=1S/C12H10N2/c1-2-8-3-4-11-9(5-8)6-10-7-13-14-12(10)11/h2-5,7H,1,6H2,(H,13,14)
InChIKeyFXEPWHXEXVMLAU-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.62
Rot. Bonds1

About 6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole

6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole (PubChem CID 142940477) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole.

Molecular Properties

Compound Name6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole
PubChem CID142940477
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole
SMILESC=Cc1ccc2c(c1)Cc1cn[nH]c1-2
InChIInChI=1S/C12H10N2/c1-2-8-3-4-11-9(5-8)6-10-7-13-14-12(10)11/h2-5,7H,1,6H2,(H,13,14)
InChIKeyFXEPWHXEXVMLAU-UHFFFAOYSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole?
The IUPAC name of 6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole (CID 142940477) is 6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole.
What is the SMILES notation for 6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole?
The canonical SMILES for 6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole is C=Cc1ccc2c(c1)Cc1cn[nH]c1-2.
What is the InChIKey of 6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole?
The InChIKey is FXEPWHXEXVMLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-8-3-4-11-9(5-8)6-10-7-13-14-12(10)11/h2-5,7H,1,6H2,(H,13,14).
What are the key properties of 6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole?
6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole has a molecular weight of 182.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,4-dihydroindeno[2,1-d]pyrazole is sourced from PubChem (CID 142940477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).