2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole

C18H14N2 — CID 10658872

IUPAC2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole
SMILESC(=C/c1cc2n(n1)-c1ccccc1C2)\c1ccccc1
InChIInChI=1S/C18H14N2/c1-2-6-14(7-3-1)10-11-16-13-17-12-15-8-4-5-9-18(15)20(17)19-16/h1-11,13H,12H2/b11-10+
InChIKeyBABCKAIREHKYGE-ZHACJKMWSA-N
MW258.32 g/mol
LogP3.95
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole

2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole (PubChem CID 10658872) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole
PubChem CID10658872
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole
SMILESC(=C/c1cc2n(n1)-c1ccccc1C2)\c1ccccc1
InChIInChI=1S/C18H14N2/c1-2-6-14(7-3-1)10-11-16-13-17-12-15-8-4-5-9-18(15)20(17)19-16/h1-11,13H,12H2/b11-10+
InChIKeyBABCKAIREHKYGE-ZHACJKMWSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole?
The IUPAC name of 2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole (CID 10658872) is 2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole is C(=C/c1cc2n(n1)-c1ccccc1C2)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole?
The InChIKey is BABCKAIREHKYGE-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-6-14(7-3-1)10-11-16-13-17-12-15-8-4-5-9-18(15)20(17)19-16/h1-11,13H,12H2/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole?
2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole has a molecular weight of 258.32 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-4H-pyrazolo[1,5-a]indole is sourced from PubChem (CID 10658872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).