3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole

C15H11ClN2 — CID 141099178

IUPAC3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole
SMILESClc1cccc(/C=C/c2n[nH]c3ccccc23)c1
InChIInChI=1S/C15H11ClN2/c16-12-5-3-4-11(10-12)8-9-15-13-6-1-2-7-14(13)17-18-15/h1-10H,(H,17,18)/b9-8+
InChIKeyJUJSTTGBMSIMOY-CMDGGOBGSA-N
MW254.72 g/mol
LogP4.39
Rot. Bonds2

About 3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole

3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole (PubChem CID 141099178) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole
PubChem CID141099178
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole
SMILESClc1cccc(/C=C/c2n[nH]c3ccccc23)c1
InChIInChI=1S/C15H11ClN2/c16-12-5-3-4-11(10-12)8-9-15-13-6-1-2-7-14(13)17-18-15/h1-10H,(H,17,18)/b9-8+
InChIKeyJUJSTTGBMSIMOY-CMDGGOBGSA-N
XLogP4.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
CID 142995649
4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole
CID 67417108
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
CID 11437002
3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione
CID 69004356
3-[2-(2-methylphenyl)ethenyl]-1H-indazole
CID 69049104
3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
CID 67415906
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
CID 66772159
6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 141056052
tert-butyl 4-[2-chloro-4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazine-1-carboxylate
CID 67090039
5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine
CID 87626779
2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
CID 69004495
(E)-3-(3-chlorophenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122798

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole?
The IUPAC name of 3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole (CID 141099178) is 3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole.
What is the SMILES notation for 3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole?
The canonical SMILES for 3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole is Clc1cccc(/C=C/c2n[nH]c3ccccc23)c1.
What is the InChIKey of 3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole?
The InChIKey is JUJSTTGBMSIMOY-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-12-5-3-4-11(10-12)8-9-15-13-6-1-2-7-14(13)17-18-15/h1-10H,(H,17,18)/b9-8+.
What are the key properties of 3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole?
3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole has a molecular weight of 254.72 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole is sourced from PubChem (CID 141099178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).