methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate

C22H21N3O5 — CID 29132718

IUPACmethyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C22H21N3O5/c1-28-17-10-13-9-16-20(22(27)23-12-19(26)30-3)24-25(14-7-5-4-6-8-14)21(16)15(13)11-18(17)29-2/h4-8,10-11H,9,12H2,1-3H3,(H,23,27)
InChIKeyLJNGIASYMVPVAY-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.36
Rot. Bonds6

About methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate

methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate (PubChem CID 29132718) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate
PubChem CID29132718
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Namemethyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C22H21N3O5/c1-28-17-10-13-9-16-20(22(27)23-12-19(26)30-3)24-25(14-7-5-4-6-8-14)21(16)15(13)11-18(17)29-2/h4-8,10-11H,9,12H2,1-3H3,(H,23,27)
InChIKeyLJNGIASYMVPVAY-UHFFFAOYSA-N
XLogP2.36
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 39377695
6,7-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 29135910
6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39342575
methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45494711
1-(4-fluorophenyl)-6,7-dimethoxy-N-(pyridin-3-ylmethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39046743
1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-morpholin-4-ylethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39034106
N-[(2S)-2-hydroxy-2-phenylethyl]-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39377548
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39038738
1-(3-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39035547
methyl 1-(2-chlorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45491768
1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39313095
1-(4-chlorophenyl)-6,7-dimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39038190

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate (CID 29132718) is methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2.
What is the InChIKey of methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate?
The InChIKey is LJNGIASYMVPVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-28-17-10-13-9-16-20(22(27)23-12-19(26)30-3)24-25(14-7-5-4-6-8-14)21(16)15(13)11-18(17)29-2/h4-8,10-11H,9,12H2,1-3H3,(H,23,27).
What are the key properties of methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate?
methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate has a molecular weight of 407.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 29132718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).