5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole

C24H22N2O — CID 141327784

IUPAC5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole
SMILESCC/C(=C(/c1cccc(OC)c1)c1ccc2[nH]ncc2c1)c1ccccc1
InChIInChI=1S/C24H22N2O/c1-3-22(17-8-5-4-6-9-17)24(18-10-7-11-21(15-18)27-2)19-12-13-23-20(14-19)16-25-26-23/h4-16H,3H2,1-2H3,(H,25,26)/b24-22+
InChIKeyFNRNCMVWFDWNEI-ZNTNEXAZSA-N
MW354.45 g/mol
LogP5.94
Rot. Bonds5

About 5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole

5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole (PubChem CID 141327784) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole.

Molecular Properties

Compound Name5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole
PubChem CID141327784
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole
SMILESCC/C(=C(/c1cccc(OC)c1)c1ccc2[nH]ncc2c1)c1ccccc1
InChIInChI=1S/C24H22N2O/c1-3-22(17-8-5-4-6-9-17)24(18-10-7-11-21(15-18)27-2)19-12-13-23-20(14-19)16-25-26-23/h4-16H,3H2,1-2H3,(H,25,26)/b24-22+
InChIKeyFNRNCMVWFDWNEI-ZNTNEXAZSA-N
XLogP5.94
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole
CID 141327801
3-[4-[(E)-1-(1H-indazol-5-yl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66793245
3-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66793317
(E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-[3-(3-methoxypropoxy)phenyl]but-1-enyl]phenyl]prop-2-enoic acid
CID 66803330
3-[4-[2-(3-butoxyphenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66793350
3-[4-[2-[3-(4-fluorophenoxy)phenyl]-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66802507
(E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-(3-pyridin-4-yloxyphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66803308
(E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide
CID 123870308
2-[ethyl-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]amino]-N,N-dimethylbut-2-enamide
CID 175930437
(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one
CID 158067412
(E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-(4-methoxy-2-methylphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66793197
3-[4-[(Z)-2-(2-fluoro-4-methoxyphenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66799658

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole?
The IUPAC name of 5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole (CID 141327784) is 5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole.
What is the SMILES notation for 5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole?
The canonical SMILES for 5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole is CC/C(=C(/c1cccc(OC)c1)c1ccc2[nH]ncc2c1)c1ccccc1.
What is the InChIKey of 5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole?
The InChIKey is FNRNCMVWFDWNEI-ZNTNEXAZSA-N. The full InChI is InChI=1S/C24H22N2O/c1-3-22(17-8-5-4-6-9-17)24(18-10-7-11-21(15-18)27-2)19-12-13-23-20(14-19)16-25-26-23/h4-16H,3H2,1-2H3,(H,25,26)/b24-22+.
What are the key properties of 5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole?
5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole has a molecular weight of 354.45 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole is sourced from PubChem (CID 141327784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).