2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol

C21H19FN4O2 — CID 147404813

IUPAC2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
SMILESCOc1cc(F)cc(-c2ccc3c(/C=C/c4cnn(CCO)c4)n[nH]c3c2)c1
InChIInChI=1S/C21H19FN4O2/c1-28-18-9-16(8-17(22)11-18)15-3-4-19-20(24-25-21(19)10-15)5-2-14-12-23-26(13-14)6-7-27/h2-5,8-13,27H,6-7H2,1H3,(H,24,25)/b5-2+
InChIKeyDPLNGLFTOVTGFX-GORDUTHDSA-N
MW378.41 g/mol
LogP3.74
Rot. Bonds6

About 2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol

2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol (PubChem CID 147404813) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
PubChem CID147404813
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
SMILESCOc1cc(F)cc(-c2ccc3c(/C=C/c4cnn(CCO)c4)n[nH]c3c2)c1
InChIInChI=1S/C21H19FN4O2/c1-28-18-9-16(8-17(22)11-18)15-3-4-19-20(24-25-21(19)10-15)5-2-14-12-23-26(13-14)6-7-27/h2-5,8-13,27H,6-7H2,1H3,(H,24,25)/b5-2+
InChIKeyDPLNGLFTOVTGFX-GORDUTHDSA-N
XLogP3.74
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol (CID 147404813) is 2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol is COc1cc(F)cc(-c2ccc3c(/C=C/c4cnn(CCO)c4)n[nH]c3c2)c1.
What is the InChIKey of 2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
The InChIKey is DPLNGLFTOVTGFX-GORDUTHDSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-28-18-9-16(8-17(22)11-18)15-3-4-19-20(24-25-21(19)10-15)5-2-14-12-23-26(13-14)6-7-27/h2-5,8-13,27H,6-7H2,1H3,(H,24,25)/b5-2+.
What are the key properties of 2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol has a molecular weight of 378.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 147404813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).