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

C20H19N3O4 — CID 11494322

IUPACmethyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate
SMILESCOC(=O)c1cccc(Nc2n[nH]c3c2Cc2cc(OC)c(OC)cc2-3)c1
InChIInChI=1S/C20H19N3O4/c1-25-16-9-12-8-15-18(14(12)10-17(16)26-2)22-23-19(15)21-13-6-4-5-11(7-13)20(24)27-3/h4-7,9-10H,8H2,1-3H3,(H2,21,22,23)
InChIKeySMLHMBXAZLBCAX-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.53
Rot. Bonds5

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

methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate (PubChem CID 11494322) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate
PubChem CID11494322
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate
SMILESCOC(=O)c1cccc(Nc2n[nH]c3c2Cc2cc(OC)c(OC)cc2-3)c1
InChIInChI=1S/C20H19N3O4/c1-25-16-9-12-8-15-18(14(12)10-17(16)26-2)22-23-19(15)21-13-6-4-5-11(7-13)20(24)27-3/h4-7,9-10H,8H2,1-3H3,(H2,21,22,23)
InChIKeySMLHMBXAZLBCAX-UHFFFAOYSA-N
XLogP3.53
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate?
The IUPAC name of methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate (CID 11494322) is methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate.
What is the SMILES notation for methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate?
The canonical SMILES for methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate is COC(=O)c1cccc(Nc2n[nH]c3c2Cc2cc(OC)c(OC)cc2-3)c1.
What is the InChIKey of methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate?
The InChIKey is SMLHMBXAZLBCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-16-9-12-8-15-18(14(12)10-17(16)26-2)22-23-19(15)21-13-6-4-5-11(7-13)20(24)27-3/h4-7,9-10H,8H2,1-3H3,(H2,21,22,23).
What are the key properties of methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate?
methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate is sourced from PubChem (CID 11494322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).