(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide

C84H69Cl9N12O5S — CID 158584039

IUPAC(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCC/C3=C\c2ccc(Cl)cc2)cc1.O=C(NCc1ccccn1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1.O=C(NCc1ccncc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1
InChIInChI=1S/C28H23Cl3N4O3S.2C28H23Cl3N4O/c29-19-7-5-17(6-8-19)15-18-3-1-2-4-23-26(28(36)33-21-10-12-22(13-11-21)39(32,37)38)34-35(27(18)23)25-14-9-20(30)16-24(25)31;29-20-10-8-18(9-11-20)15-19-5-1-2-7-23-26(28(36)33-17-22-6-3-4-14-32-22)34-35(27(19)23)25-13-12-21(30)16-24(25)31;29-21-7-5-18(6-8-21)15-20-3-1-2-4-23-26(28(36)33-17-19-11-13-32-14-12-19)34-35(27(20)23)25-10-9-22(30)16-24(25)31/h5-16H,1-4H2,(H,33,36)(H2,32,37,38);3-4,6,8-16H,1-2,5,7,17H2,(H,33,36);5-16H,1-4,17H2,(H,33,36)/b18-15+;19-15+;20-15+
InChIKeyHTPIOFRVRHWHEF-ACTINCCLSA-N
MW1677.70 g/mol
LogP21.85
Rot. Bonds15

About (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide

(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 158584039) has the molecular formula C84H69Cl9N12O5S and a molecular weight of 1677.70 g/mol. Its IUPAC name is (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID158584039
Molecular FormulaC84H69Cl9N12O5S
Molecular Weight1677.70 g/mol
Exact Mass1672.24
IUPAC Name(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCC/C3=C\c2ccc(Cl)cc2)cc1.O=C(NCc1ccccn1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1.O=C(NCc1ccncc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1
InChIInChI=1S/C28H23Cl3N4O3S.2C28H23Cl3N4O/c29-19-7-5-17(6-8-19)15-18-3-1-2-4-23-26(28(36)33-21-10-12-22(13-11-21)39(32,37)38)34-35(27(18)23)25-14-9-20(30)16-24(25)31;29-20-10-8-18(9-11-20)15-19-5-1-2-7-23-26(28(36)33-17-22-6-3-4-14-32-22)34-35(27(19)23)25-13-12-21(30)16-24(25)31;29-21-7-5-18(6-8-21)15-20-3-1-2-4-23-26(28(36)33-17-19-11-13-32-14-12-19)34-35(27(20)23)25-10-9-22(30)16-24(25)31/h5-16H,1-4H2,(H,33,36)(H2,32,37,38);3-4,6,8-16H,1-2,5,7,17H2,(H,33,36);5-16H,1-4,17H2,(H,33,36)/b18-15+;19-15+;20-15+
InChIKeyHTPIOFRVRHWHEF-ACTINCCLSA-N
XLogP21.85
TPSA226.70 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001677.70
LogP ≤ 521.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (CID 158584039) is (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCC/C3=C\c2ccc(Cl)cc2)cc1.O=C(NCc1ccccn1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1.O=C(NCc1ccncc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1.
What is the InChIKey of (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is HTPIOFRVRHWHEF-ACTINCCLSA-N. The full InChI is InChI=1S/C28H23Cl3N4O3S.2C28H23Cl3N4O/c29-19-7-5-17(6-8-19)15-18-3-1-2-4-23-26(28(36)33-21-10-12-22(13-11-21)39(32,37)38)34-35(27(18)23)25-14-9-20(30)16-24(25)31;29-20-10-8-18(9-11-20)15-19-5-1-2-7-23-26(28(36)33-17-22-6-3-4-14-32-22)34-35(27(19)23)25-13-12-21(30)16-24(25)31;29-21-7-5-18(6-8-21)15-20-3-1-2-4-23-26(28(36)33-17-19-11-13-32-14-12-19)34-35(27(20)23)25-10-9-22(30)16-24(25)31/h5-16H,1-4H2,(H,33,36)(H2,32,37,38);3-4,6,8-16H,1-2,5,7,17H2,(H,33,36);5-16H,1-4,17H2,(H,33,36)/b18-15+;19-15+;20-15+.
What are the key properties of (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 1677.70 g/mol, XLogP of 21.85, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 158584039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).