4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide

C34H37N3O5 — CID 145193925

IUPAC4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(OC)c3)n(-c3ccc(C(=O)NCC(C)C)cc3)n2)cc1OC
InChIInChI=1S/C34H37N3O5/c1-23(2)22-35-34(38)26-11-15-28(16-12-26)37-29(14-8-25-10-18-31(40-4)33(20-25)42-6)21-27(36-37)13-7-24-9-17-30(39-3)32(19-24)41-5/h7-21,23H,22H2,1-6H3,(H,35,38)/b13-7+,14-8+
InChIKeySPCUQFHRIGIENQ-FNCQTZNRSA-N
MW567.69 g/mol
LogP6.63
Rot. Bonds12

About 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide

4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide (PubChem CID 145193925) has the molecular formula C34H37N3O5 and a molecular weight of 567.69 g/mol. Its IUPAC name is 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide
PubChem CID145193925
Molecular FormulaC34H37N3O5
Molecular Weight567.69 g/mol
Exact Mass567.27
IUPAC Name4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(OC)c3)n(-c3ccc(C(=O)NCC(C)C)cc3)n2)cc1OC
InChIInChI=1S/C34H37N3O5/c1-23(2)22-35-34(38)26-11-15-28(16-12-26)37-29(14-8-25-10-18-31(40-4)33(20-25)42-6)21-27(36-37)13-7-24-9-17-30(39-3)32(19-24)41-5/h7-21,23H,22H2,1-6H3,(H,35,38)/b13-7+,14-8+
InChIKeySPCUQFHRIGIENQ-FNCQTZNRSA-N
XLogP6.63
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
CID 16021093
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-ethylbenzenecarbothioamide
CID 145193896
ethyl 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]benzoate
CID 145193917
[4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 145193950
4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-ethylbenzamide
CID 145193964
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate
CID 2360935
3-N-benzyl-1-(4-methoxyphenyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide
CID 10029745
1-(4-methoxyphenyl)-3-N-(2-methylpropyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide
CID 11762691
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
CID 16021129
N-[(3,4-Dimethoxyphenyl)methyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]butanamide
CID 16022664

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide (CID 145193925) is 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide is COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(OC)c3)n(-c3ccc(C(=O)NCC(C)C)cc3)n2)cc1OC.
What is the InChIKey of 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide?
The InChIKey is SPCUQFHRIGIENQ-FNCQTZNRSA-N. The full InChI is InChI=1S/C34H37N3O5/c1-23(2)22-35-34(38)26-11-15-28(16-12-26)37-29(14-8-25-10-18-31(40-4)33(20-25)42-6)21-27(36-37)13-7-24-9-17-30(39-3)32(19-24)41-5/h7-21,23H,22H2,1-6H3,(H,35,38)/b13-7+,14-8+.
What are the key properties of 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide?
4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide has a molecular weight of 567.69 g/mol, XLogP of 6.63, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 145193925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).