ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole

C15H17N3 — CID 143924426

IUPACethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
SMILESC(=C/c1cc2ccccc2[nH]1)\c1ccn[nH]1.CC
InChIInChI=1S/C13H11N3.C2H6/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;1-2/h1-9,15H,(H,14,16);1-2H3/b6-5+;
InChIKeyZCMSYNWWKKDWCE-IPZCTEOASA-N
MW239.32 g/mol
LogP4.09
Rot. Bonds2

About ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole

ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole (PubChem CID 143924426) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole.

Molecular Properties

Compound Nameethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
PubChem CID143924426
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Nameethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
SMILESC(=C/c1cc2ccccc2[nH]1)\c1ccn[nH]1.CC
InChIInChI=1S/C13H11N3.C2H6/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;1-2/h1-9,15H,(H,14,16);1-2H3/b6-5+;
InChIKeyZCMSYNWWKKDWCE-IPZCTEOASA-N
XLogP4.09
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[2-(1H-indol-2-yl)ethenyl]-1,2-thiazole
CID 136504640
4-[2-(1H-indol-2-yl)ethenyl]-1,2,3,5-thiatriazole
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2-[(E)-dec-1-enyl]-1H-indole
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ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate
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5-[2-(2-fluorophenyl)ethenyl]-1H-pyrazole
CID 173291602

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole?
The IUPAC name of ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole (CID 143924426) is ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole.
What is the SMILES notation for ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole?
The canonical SMILES for ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole is C(=C/c1cc2ccccc2[nH]1)\c1ccn[nH]1.CC.
What is the InChIKey of ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole?
The InChIKey is ZCMSYNWWKKDWCE-IPZCTEOASA-N. The full InChI is InChI=1S/C13H11N3.C2H6/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;1-2/h1-9,15H,(H,14,16);1-2H3/b6-5+;.
What are the key properties of ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole?
ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole is sourced from PubChem (CID 143924426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).