ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate

C21H21N3O4 — CID 91022354

IUPACethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2[nH][nH]c3c4cc(OC)c(OC)cc4cc2-3)cc1
InChIInChI=1S/C21H21N3O4/c1-4-28-21(25)12-5-7-14(8-6-12)22-20-16-9-13-10-17(26-2)18(27-3)11-15(13)19(16)23-24-20/h5-11,22-24H,4H2,1-3H3
InChIKeyUKXDKYGFWWCFQG-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.54
Rot. Bonds6

About ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate

ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate (PubChem CID 91022354) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate
PubChem CID91022354
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Nameethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2[nH][nH]c3c4cc(OC)c(OC)cc4cc2-3)cc1
InChIInChI=1S/C21H21N3O4/c1-4-28-21(25)12-5-7-14(8-6-12)22-20-16-9-13-10-17(26-2)18(27-3)11-15(13)19(16)23-24-20/h5-11,22-24H,4H2,1-3H3
InChIKeyUKXDKYGFWWCFQG-UHFFFAOYSA-N
XLogP4.54
TPSA88.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzamide
CID 91164733
N-(3-chloro-4-methoxyphenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 90787776
ethyl 4-[[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112866544
ethyl 4-[[3-(3,4-dimethoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108956010
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate
CID 164899920
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
N-(2-bromophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 91581818
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773
ethyl 1-(3,4-dimethoxybenzoyl)-6,7-dimethoxyisoquinoline-3-carboxylate
CID 11761685
ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20952719

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate (CID 91022354) is ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2[nH][nH]c3c4cc(OC)c(OC)cc4cc2-3)cc1.
What is the InChIKey of ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate?
The InChIKey is UKXDKYGFWWCFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-4-28-21(25)12-5-7-14(8-6-12)22-20-16-9-13-10-17(26-2)18(27-3)11-15(13)19(16)23-24-20/h5-11,22-24H,4H2,1-3H3.
What are the key properties of ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate?
ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate has a molecular weight of 379.42 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate is sourced from PubChem (CID 91022354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).