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

C26H24ClN3O4 — CID 56931866

IUPACN-(4-chlorophenyl)-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(Cl)cc2)cc1
InChIInChI=1S/C26H24ClN3O4/c1-32-19-10-4-15(5-11-19)25-21-12-16-13-22(33-2)23(34-3)14-20(16)24(21)29-30(25)26(31)28-18-8-6-17(27)7-9-18/h4-11,13-14,21,25H,12H2,1-3H3,(H,28,31)
InChIKeyQJZGWEBLZPKRFH-UHFFFAOYSA-N
MW477.95 g/mol
LogP5.53
Rot. Bonds5

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

N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56931866) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56931866
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC NameN-(4-chlorophenyl)-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(Cl)cc2)cc1
InChIInChI=1S/C26H24ClN3O4/c1-32-19-10-4-15(5-11-19)25-21-12-16-13-22(33-2)23(34-3)14-20(16)24(21)29-30(25)26(31)28-18-8-6-17(27)7-9-18/h4-11,13-14,21,25H,12H2,1-3H3,(H,28,31)
InChIKeyQJZGWEBLZPKRFH-UHFFFAOYSA-N
XLogP5.53
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.95
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56931866) is N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-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(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is QJZGWEBLZPKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c1-32-19-10-4-15(5-11-19)25-21-12-16-13-22(33-2)23(34-3)14-20(16)24(21)29-30(25)26(31)28-18-8-6-17(27)7-9-18/h4-11,13-14,21,25H,12H2,1-3H3,(H,28,31).
What are the key properties of N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56931866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).