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

C25H21Cl2N3O3 — CID 56931727

IUPAC3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)C(c3ccccc3Cl)C1C2
InChIInChI=1S/C25H21Cl2N3O3/c1-32-21-12-14-11-19-23(18(14)13-22(21)33-2)29-30(24(19)17-5-3-4-6-20(17)27)25(31)28-16-9-7-15(26)8-10-16/h3-10,12-13,19,24H,11H2,1-2H3,(H,28,31)
InChIKeyUVCWYFNDSBKKSE-UHFFFAOYSA-N
MW482.37 g/mol
LogP6.18
Rot. Bonds4

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

3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56931727) has the molecular formula C25H21Cl2N3O3 and a molecular weight of 482.37 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56931727
Molecular FormulaC25H21Cl2N3O3
Molecular Weight482.37 g/mol
Exact Mass481.10
IUPAC Name3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)C(c3ccccc3Cl)C1C2
InChIInChI=1S/C25H21Cl2N3O3/c1-32-21-12-14-11-19-23(18(14)13-22(21)33-2)29-30(24(19)17-5-3-4-6-20(17)27)25(31)28-16-9-7-15(26)8-10-16/h3-10,12-13,19,24H,11H2,1-2H3,(H,28,31)
InChIKeyUVCWYFNDSBKKSE-UHFFFAOYSA-N
XLogP6.18
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.37
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56931727) is 3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)C(c3ccccc3Cl)C1C2.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is UVCWYFNDSBKKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O3/c1-32-21-12-14-11-19-23(18(14)13-22(21)33-2)29-30(24(19)17-5-3-4-6-20(17)27)25(31)28-16-9-7-15(26)8-10-16/h3-10,12-13,19,24H,11H2,1-2H3,(H,28,31).
What are the key properties of 3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 482.37 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56931727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).