(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide

C31H32Cl3N3O — CID 11613896

IUPAC(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccc(Cl)cc1
InChIInChI=1S/C31H32Cl3N3O/c1-30(2)20-13-14-31(3,17-20)29(30)35-28(38)26-23-6-4-5-19(15-18-7-9-21(32)10-8-18)27(23)37(36-26)25-12-11-22(33)16-24(25)34/h7-12,15-16,20,29H,4-6,13-14,17H2,1-3H3,(H,35,38)/b19-15+
InChIKeyKCLCKYTVUHAQJJ-XDJHFCHBSA-N
MW568.98 g/mol
LogP8.65
Rot. Bonds4

About (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide

(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide (PubChem CID 11613896) has the molecular formula C31H32Cl3N3O and a molecular weight of 568.98 g/mol. Its IUPAC name is (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide.

Molecular Properties

Compound Name(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide
PubChem CID11613896
Molecular FormulaC31H32Cl3N3O
Molecular Weight568.98 g/mol
Exact Mass567.16
IUPAC Name(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccc(Cl)cc1
InChIInChI=1S/C31H32Cl3N3O/c1-30(2)20-13-14-31(3,17-20)29(30)35-28(38)26-23-6-4-5-19(15-18-7-9-21(32)10-8-18)27(23)37(36-26)25-12-11-22(33)16-24(25)34/h7-12,15-16,20,29H,4-6,13-14,17H2,1-3H3,(H,35,38)/b19-15+
InChIKeyKCLCKYTVUHAQJJ-XDJHFCHBSA-N
XLogP8.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.98
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide with MolForge

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Related Compounds

8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 90894699
1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836226
(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
CID 59836455
1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(4-hydroxypiperidin-1-yl)-5,6-dihydro-4H-indazole-3-carboxamide
CID 73232848
(9E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-4H-cycloocta[d]pyrazole-3-carboxamide
CID 16660680
(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-indazole-3-carboxylic acid
CID 59836254
1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 90982782
(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide
CID 134136907
N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 162053438
(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide
CID 71047772
8-[(4-chlorophenyl)methylidene]-1-(2,5-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 66614764
1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836291

Frequently Asked Questions

What is the IUPAC name of (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide?
The IUPAC name of (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide (CID 11613896) is (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide.
What is the SMILES notation for (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide?
The canonical SMILES for (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide is CC12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccc(Cl)cc1.
What is the InChIKey of (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide?
The InChIKey is KCLCKYTVUHAQJJ-XDJHFCHBSA-N. The full InChI is InChI=1S/C31H32Cl3N3O/c1-30(2)20-13-14-31(3,17-20)29(30)35-28(38)26-23-6-4-5-19(15-18-7-9-21(32)10-8-18)27(23)37(36-26)25-12-11-22(33)16-24(25)34/h7-12,15-16,20,29H,4-6,13-14,17H2,1-3H3,(H,35,38)/b19-15+.
What are the key properties of (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide?
(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide has a molecular weight of 568.98 g/mol, XLogP of 8.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide is sourced from PubChem (CID 11613896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).