methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate

C27H25N3O6 — CID 55725584

IUPACmethyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H25N3O6/c1-33-23-14-9-18(15-24(23)34-2)26-22(16-30(29-26)20-7-5-4-6-8-20)27(32)28-19-10-12-21(13-11-19)36-17-25(31)35-3/h4-16H,17H2,1-3H3,(H,28,32)
InChIKeyBCLDVVZZNKIYIT-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.36
Rot. Bonds9

About methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate

methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate (PubChem CID 55725584) has the molecular formula C27H25N3O6 and a molecular weight of 487.51 g/mol. Its IUPAC name is methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
PubChem CID55725584
Molecular FormulaC27H25N3O6
Molecular Weight487.51 g/mol
Exact Mass487.17
IUPAC Namemethyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H25N3O6/c1-33-23-14-9-18(15-24(23)34-2)26-22(16-30(29-26)20-7-5-4-6-8-20)27(32)28-19-10-12-21(13-11-19)36-17-25(31)35-3/h4-16H,17H2,1-3H3,(H,28,32)
InChIKeyBCLDVVZZNKIYIT-UHFFFAOYSA-N
XLogP4.36
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate with MolForge

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Related Compounds

N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
3-(3,4-dimethoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 26715981
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904364
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 27335088
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 43016709
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 32942890
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-4-carboxamide
CID 46637263

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate (CID 55725584) is methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate?
The InChIKey is BCLDVVZZNKIYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6/c1-33-23-14-9-18(15-24(23)34-2)26-22(16-30(29-26)20-7-5-4-6-8-20)27(32)28-19-10-12-21(13-11-19)36-17-25(31)35-3/h4-16H,17H2,1-3H3,(H,28,32).
What are the key properties of methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate?
methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate has a molecular weight of 487.51 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate is sourced from PubChem (CID 55725584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).