1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide

C22H17BrN4O4 — CID 39313095

IUPAC1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccon3)nn1-c1ccc(Br)cc1)C2
InChIInChI=1S/C22H17BrN4O4/c1-29-17-10-12-9-16-20(22(28)24-19-7-8-31-26-19)25-27(14-5-3-13(23)4-6-14)21(16)15(12)11-18(17)30-2/h3-8,10-11H,9H2,1-2H3,(H,24,26,28)
InChIKeyLQGJVKZXUJTGKZ-UHFFFAOYSA-N
MW481.31 g/mol
LogP4.46
Rot. Bonds5

About 1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide

1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide (PubChem CID 39313095) has the molecular formula C22H17BrN4O4 and a molecular weight of 481.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
PubChem CID39313095
Molecular FormulaC22H17BrN4O4
Molecular Weight481.31 g/mol
Exact Mass480.04
IUPAC Name1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccon3)nn1-c1ccc(Br)cc1)C2
InChIInChI=1S/C22H17BrN4O4/c1-29-17-10-12-9-16-20(22(28)24-19-7-8-31-26-19)25-27(14-5-3-13(23)4-6-14)21(16)15(12)11-18(17)30-2/h3-8,10-11H,9H2,1-2H3,(H,24,26,28)
InChIKeyLQGJVKZXUJTGKZ-UHFFFAOYSA-N
XLogP4.46
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.31
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
methyl 1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxylate
CID 45494711
methyl 2-[(6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]acetate
CID 29132718
6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 39377695
1-(4-fluorophenyl)-6,7-dimethoxy-N-(pyridin-3-ylmethyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39046743
6,7-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 29135910
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
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39038738
4-[(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]benzoic acid
CID 39378283
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
7-bromo-6-methoxy-1-thiophen-3-yl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 170971934
6,7-dimethoxy-1-methyl-N-(4-propan-2-ylphenyl)-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39378410

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide (CID 39313095) is 1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide is COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccon3)nn1-c1ccc(Br)cc1)C2.
What is the InChIKey of 1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The InChIKey is LQGJVKZXUJTGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O4/c1-29-17-10-12-9-16-20(22(28)24-19-7-8-31-26-19)25-27(14-5-3-13(23)4-6-14)21(16)15(12)11-18(17)30-2/h3-8,10-11H,9H2,1-2H3,(H,24,26,28).
What are the key properties of 1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide?
1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide has a molecular weight of 481.31 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-6,7-dimethoxy-N-(1,2-oxazol-3-yl)-4H-indeno[2,1-d]pyrazole-3-carboxamide is sourced from PubChem (CID 39313095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).