N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

C28H29N3O4 — CID 56661808

IUPACN-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1ccc(C2C3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C28H29N3O4/c1-16-6-11-23(17(2)12-16)29-28(32)31-27(18-7-9-20(33-3)10-8-18)22-13-19-14-24(34-4)25(35-5)15-21(19)26(22)30-31/h6-12,14-15,22,27H,13H2,1-5H3,(H,29,32)
InChIKeyLLHFOLATORJIHK-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.49
Rot. Bonds5

About N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56661808) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56661808
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC NameN-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1ccc(C2C3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C28H29N3O4/c1-16-6-11-23(17(2)12-16)29-28(32)31-27(18-7-9-20(33-3)10-8-18)22-13-19-14-24(34-4)25(35-5)15-21(19)26(22)30-31/h6-12,14-15,22,27H,13H2,1-5H3,(H,29,32)
InChIKeyLLHFOLATORJIHK-UHFFFAOYSA-N
XLogP5.49
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56661808) is N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1ccc(C2C3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is LLHFOLATORJIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-16-6-11-23(17(2)12-16)29-28(32)31-27(18-7-9-20(33-3)10-8-18)22-13-19-14-24(34-4)25(35-5)15-21(19)26(22)30-31/h6-12,14-15,22,27H,13H2,1-5H3,(H,29,32).
What are the key properties of N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56661808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).