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

C83H67Cl8FN12O5S — CID 157360897

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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-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(Nc1ccncc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C28H23Cl3N4O3S.C28H23Cl3N4O.C27H21Cl2FN4O/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;28-19-7-10-24(23(29)16-19)34-26-18(15-17-5-8-20(30)9-6-17)3-1-2-4-22(26)25(33-34)27(35)32-21-11-13-31-14-12-21/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,1-4H2,(H,31,32,35)/b18-15+;19-15+;18-15+
InChIKeyBIPYKEAEAPGAMG-BWBYVRGISA-N
MW1647.22 g/mol
LogP21.66
Rot. Bonds14

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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 157360897) has the molecular formula C83H67Cl8FN12O5S and a molecular weight of 1647.22 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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID157360897
Molecular FormulaC83H67Cl8FN12O5S
Molecular Weight1647.22 g/mol
Exact Mass1642.26
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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-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(Nc1ccncc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C28H23Cl3N4O3S.C28H23Cl3N4O.C27H21Cl2FN4O/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;28-19-7-10-24(23(29)16-19)34-26-18(15-17-5-8-20(30)9-6-17)3-1-2-4-22(26)25(33-34)27(35)32-21-11-13-31-14-12-21/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,1-4H2,(H,31,32,35)/b18-15+;19-15+;18-15+
InChIKeyBIPYKEAEAPGAMG-BWBYVRGISA-N
XLogP21.66
TPSA226.70 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001647.22
LogP ≤ 521.66
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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide with MolForge

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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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (CID 157360897) 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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-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(Nc1ccncc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(F)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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is BIPYKEAEAPGAMG-BWBYVRGISA-N. The full InChI is InChI=1S/C28H23Cl3N4O3S.C28H23Cl3N4O.C27H21Cl2FN4O/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;28-19-7-10-24(23(29)16-19)34-26-18(15-17-5-8-20(30)9-6-17)3-1-2-4-22(26)25(33-34)27(35)32-21-11-13-31-14-12-21/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,1-4H2,(H,31,32,35)/b18-15+;19-15+;18-15+.
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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 1647.22 g/mol, XLogP of 21.66, 14 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-(4-sulfamoylphenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-pyridin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 157360897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).