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

C20H19N3O4 — CID 141081209

IUPACmethyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1n[nH]c2c1Cc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C20H19N3O4/c1-25-16-9-11-8-14-18(13(11)10-17(16)26-2)22-23-19(14)21-15-7-5-4-6-12(15)20(24)27-3/h4-7,9-10H,8H2,1-3H3,(H2,21,22,23)
InChIKeyHLSGNLNSMGXQBX-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.53
Rot. Bonds5

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

methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate (PubChem CID 141081209) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate
PubChem CID141081209
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1n[nH]c2c1Cc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C20H19N3O4/c1-25-16-9-11-8-14-18(13(11)10-17(16)26-2)22-23-19(14)21-15-7-5-4-6-12(15)20(24)27-3/h4-7,9-10H,8H2,1-3H3,(H2,21,22,23)
InChIKeyHLSGNLNSMGXQBX-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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Related Compounds

3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
CID 18445564
[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol
CID 18445566
6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445754
N-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 11496227
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445548
6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol
CID 143051410
N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445751
N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445835
6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445768
1-N-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-4-methyl-3-N-(4-pyridin-2-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 58824831
1-fluoro-3-isothiocyanatobenzene;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 159869809
[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-2-yl]methyl 2,2-dimethylpropanoate;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 157423118

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate?
The IUPAC name of methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate (CID 141081209) is methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate is COC(=O)c1ccccc1Nc1n[nH]c2c1Cc1cc(OC)c(OC)cc1-2.
What is the InChIKey of methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate?
The InChIKey is HLSGNLNSMGXQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-16-9-11-8-14-18(13(11)10-17(16)26-2)22-23-19(14)21-15-7-5-4-6-12(15)20(24)27-3/h4-7,9-10H,8H2,1-3H3,(H2,21,22,23).
What are the key properties of methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate?
methyl 2-[(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 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate is sourced from PubChem (CID 141081209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).