[3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone

C27H23N3O5 — CID 137228757

IUPAC[3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n(C(=O)c3ccncc3)n2)ccc1O
InChIInChI=1S/C27H23N3O5/c1-34-25-15-18(5-9-23(25)31)3-7-21-17-22(8-4-19-6-10-24(32)26(16-19)35-2)30(29-21)27(33)20-11-13-28-14-12-20/h3-17,31-32H,1-2H3
InChIKeyUFDSAXFMNUUEEN-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.74
Rot. Bonds7

About [3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone

[3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone (PubChem CID 137228757) has the molecular formula C27H23N3O5 and a molecular weight of 469.50 g/mol. Its IUPAC name is [3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone
PubChem CID137228757
Molecular FormulaC27H23N3O5
Molecular Weight469.50 g/mol
Exact Mass469.16
IUPAC Name[3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n(C(=O)c3ccncc3)n2)ccc1O
InChIInChI=1S/C27H23N3O5/c1-34-25-15-18(5-9-23(25)31)3-7-21-17-22(8-4-19-6-10-24(32)26(16-19)35-2)30(29-21)27(33)20-11-13-28-14-12-20/h3-17,31-32H,1-2H3
InChIKeyUFDSAXFMNUUEEN-UHFFFAOYSA-N
XLogP4.74
TPSA106.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide
CID 137228772
3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide
CID 135857202
methyl 4-[3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]benzoate
CID 162665812
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 135518353
4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 136505153
4-[(E)-2-[1-(2-fluorophenyl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 137158246
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-(2-nitrophenyl)pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 143764470
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one
CID 155809153
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
(E)-3-(3,4-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 82639722

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone (CID 137228757) is [3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone is COc1cc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n(C(=O)c3ccncc3)n2)ccc1O.
What is the InChIKey of [3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone?
The InChIKey is UFDSAXFMNUUEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O5/c1-34-25-15-18(5-9-23(25)31)3-7-21-17-22(8-4-19-6-10-24(32)26(16-19)35-2)30(29-21)27(33)20-11-13-28-14-12-20/h3-17,31-32H,1-2H3.
What are the key properties of [3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone?
[3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone has a molecular weight of 469.50 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 137228757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).