[1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate

C25H22N2O5 — CID 141317691

IUPAC[1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate
SMILESCOc1cc(-c2cc(OC(=O)c3ccccc3)nn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-29-21-14-18(15-22(30-2)24(21)31-3)20-16-23(26-27(20)19-12-8-5-9-13-19)32-25(28)17-10-6-4-7-11-17/h4-16H,1-3H3
InChIKeyGQYHJHHWBNMSDU-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.78
Rot. Bonds7

About [1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate

[1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate (PubChem CID 141317691) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is [1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate.

Molecular Properties

Compound Name[1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate
PubChem CID141317691
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name[1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate
SMILESCOc1cc(-c2cc(OC(=O)c3ccccc3)nn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-29-21-14-18(15-22(30-2)24(21)31-3)20-16-23(26-27(20)19-12-8-5-9-13-19)32-25(28)17-10-6-4-7-11-17/h4-16H,1-3H3
InChIKeyGQYHJHHWBNMSDU-UHFFFAOYSA-N
XLogP4.78
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-phenyl-5-(3,4,5-trimethoxybenzoyl)oxypyrazole-3-carboxylate
CID 15991392
(3,4-dimethoxy-5-methylphenyl) benzoate
CID 71511932
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544
(4-methoxycarbonylphenyl) 4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 4862192
3,4-dibenzoyloxy-5-methoxybenzoic acid
CID 90121898
[1-methoxy-4-(3,4,5-trimethoxyphenyl)isoquinolin-5-yl] benzoate
CID 139981000
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
CID 58431996
6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one
CID 53388862
(6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate
CID 835928
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
1-phenyl-5-(3,4,5-trimethoxyphenyl)-3-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]pyrazole
CID 71519360

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate?
The IUPAC name of [1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate (CID 141317691) is [1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate.
What is the SMILES notation for [1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate?
The canonical SMILES for [1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate is COc1cc(-c2cc(OC(=O)c3ccccc3)nn2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of [1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate?
The InChIKey is GQYHJHHWBNMSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-29-21-14-18(15-22(30-2)24(21)31-3)20-16-23(26-27(20)19-12-8-5-9-13-19)32-25(28)17-10-6-4-7-11-17/h4-16H,1-3H3.
What are the key properties of [1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate?
[1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate has a molecular weight of 430.46 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate is sourced from PubChem (CID 141317691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).