(E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol

C26H28N2O5 — CID 44570519

IUPAC(E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol
SMILESCOc1ccc(/C=C/c2n[nH]c(/C=C/c3ccc(OC)c(OC)c3)c2/C=C/CO)cc1OC
InChIInChI=1S/C26H28N2O5/c1-30-23-13-9-18(16-25(23)32-3)7-11-21-20(6-5-15-29)22(28-27-21)12-8-19-10-14-24(31-2)26(17-19)33-4/h5-14,16-17,29H,15H2,1-4H3,(H,27,28)/b6-5+,11-7+,12-8+
InChIKeyPUSGBYSKLFHPHL-SZKUKKIJSA-N
MW448.52 g/mol
LogP4.79
Rot. Bonds10

About (E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol

(E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol (PubChem CID 44570519) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is (E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol
PubChem CID44570519
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name(E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol
SMILESCOc1ccc(/C=C/c2n[nH]c(/C=C/c3ccc(OC)c(OC)c3)c2/C=C/CO)cc1OC
InChIInChI=1S/C26H28N2O5/c1-30-23-13-9-18(16-25(23)32-3)7-11-21-20(6-5-15-29)22(28-27-21)12-8-19-10-14-24(31-2)26(17-19)33-4/h5-14,16-17,29H,15H2,1-4H3,(H,27,28)/b6-5+,11-7+,12-8+
InChIKeyPUSGBYSKLFHPHL-SZKUKKIJSA-N
XLogP4.79
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate
CID 46918723
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 163079433
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide
CID 68934311
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxybenzoic acid
CID 101130006
4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid
CID 169453817
4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 136641847
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol (CID 44570519) is (E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol is COc1ccc(/C=C/c2n[nH]c(/C=C/c3ccc(OC)c(OC)c3)c2/C=C/CO)cc1OC.
What is the InChIKey of (E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol?
The InChIKey is PUSGBYSKLFHPHL-SZKUKKIJSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-30-23-13-9-18(16-25(23)32-3)7-11-21-20(6-5-15-29)22(28-27-21)12-8-19-10-14-24(31-2)26(17-19)33-4/h5-14,16-17,29H,15H2,1-4H3,(H,27,28)/b6-5+,11-7+,12-8+.
What are the key properties of (E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol?
(E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol has a molecular weight of 448.52 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 44570519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).