3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide

C22H21N3O5 — CID 137228772

IUPAC3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide
SMILESCOc1cc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n(C(N)=O)n2)ccc1O
InChIInChI=1S/C22H21N3O5/c1-29-20-11-14(5-9-18(20)26)3-7-16-13-17(25(24-16)22(23)28)8-4-15-6-10-19(27)21(12-15)30-2/h3-13,26-27H,1-2H3,(H2,23,28)
InChIKeyHVTSVGLLJGNWME-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.58
Rot. Bonds6

About 3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide

3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide (PubChem CID 137228772) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide
PubChem CID137228772
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide
SMILESCOc1cc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n(C(N)=O)n2)ccc1O
InChIInChI=1S/C22H21N3O5/c1-29-20-11-14(5-9-18(20)26)3-7-16-13-17(25(24-16)22(23)28)8-4-15-6-10-19(27)21(12-15)30-2/h3-13,26-27H,1-2H3,(H2,23,28)
InChIKeyHVTSVGLLJGNWME-UHFFFAOYSA-N
XLogP3.58
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide
CID 135857202
[3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone
CID 137228757
methyl 4-[3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]benzoate
CID 162665812
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-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 135518353
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
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
2-hydroxyacetamide;2-methoxy-4-prop-1-enylphenol
CID 162206225
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
2-methoxy-4-[(E)-2-[3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)pyrazol-5-yl]ethenyl]phenol
CID 143757803

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide?
The IUPAC name of 3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide (CID 137228772) is 3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide?
The canonical SMILES for 3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide is COc1cc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n(C(N)=O)n2)ccc1O.
What is the InChIKey of 3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide?
The InChIKey is HVTSVGLLJGNWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-29-20-11-14(5-9-18(20)26)3-7-16-13-17(25(24-16)22(23)28)8-4-15-6-10-19(27)21(12-15)30-2/h3-13,26-27H,1-2H3,(H2,23,28).
What are the key properties of 3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide?
3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 137228772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).