(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide

C83H87Cl6N11O4 — CID 157117357

IUPAC(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1nn(-c2ccccc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1)C1CCCCC1.O=C(NN1CCCCC1)c1nn(-c2ccccc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1.O=C(NN1CCOCC1)c1nn(-c2ccccc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1
InChIInChI=1S/C30H33Cl2N3O.C27H28Cl2N4O.C26H26Cl2N4O2/c1-20(22-9-3-2-4-10-22)33-30(36)28-25-12-6-5-11-23(19-21-15-17-24(31)18-16-21)29(25)35(34-28)27-14-8-7-13-26(27)32;28-21-14-12-19(13-15-21)18-20-8-2-3-9-22-25(27(34)31-32-16-6-1-7-17-32)30-33(26(20)22)24-11-5-4-10-23(24)29;27-20-11-9-18(10-12-20)17-19-5-1-2-6-21-24(26(33)30-31-13-15-34-16-14-31)29-32(25(19)21)23-8-4-3-7-22(23)28/h7-8,13-20,22H,2-6,9-12H2,1H3,(H,33,36);4-5,10-15,18H,1-3,6-9,16-17H2,(H,31,34);3-4,7-12,17H,1-2,5-6,13-16H2,(H,30,33)/b23-19+;20-18+;19-17+/t20-;;/m0../s1
InChIKeyAHOGXGHRHMWVOU-CJKKJNIESA-N
MW1515.40 g/mol
LogP20.14
Rot. Bonds13

About (8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide

(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 157117357) has the molecular formula C83H87Cl6N11O4 and a molecular weight of 1515.40 g/mol. Its IUPAC name is (8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID157117357
Molecular FormulaC83H87Cl6N11O4
Molecular Weight1515.40 g/mol
Exact Mass1511.51
IUPAC Name(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1nn(-c2ccccc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1)C1CCCCC1.O=C(NN1CCCCC1)c1nn(-c2ccccc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1.O=C(NN1CCOCC1)c1nn(-c2ccccc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1
InChIInChI=1S/C30H33Cl2N3O.C27H28Cl2N4O.C26H26Cl2N4O2/c1-20(22-9-3-2-4-10-22)33-30(36)28-25-12-6-5-11-23(19-21-15-17-24(31)18-16-21)29(25)35(34-28)27-14-8-7-13-26(27)32;28-21-14-12-19(13-15-21)18-20-8-2-3-9-22-25(27(34)31-32-16-6-1-7-17-32)30-33(26(20)22)24-11-5-4-10-23(24)29;27-20-11-9-18(10-12-20)17-19-5-1-2-6-21-24(26(33)30-31-13-15-34-16-14-31)29-32(25(19)21)23-8-4-3-7-22(23)28/h7-8,13-20,22H,2-6,9-12H2,1H3,(H,33,36);4-5,10-15,18H,1-3,6-9,16-17H2,(H,31,34);3-4,7-12,17H,1-2,5-6,13-16H2,(H,30,33)/b23-19+;20-18+;19-17+/t20-;;/m0../s1
InChIKeyAHOGXGHRHMWVOU-CJKKJNIESA-N
XLogP20.14
TPSA156.47 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001515.40
LogP ≤ 520.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze (8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-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)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of (8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (CID 157117357) is (8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for (8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for (8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is C[C@H](NC(=O)c1nn(-c2ccccc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1)C1CCCCC1.O=C(NN1CCCCC1)c1nn(-c2ccccc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1.O=C(NN1CCOCC1)c1nn(-c2ccccc2Cl)c2c1CCCC/C2=C\c1ccc(Cl)cc1.
What is the InChIKey of (8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is AHOGXGHRHMWVOU-CJKKJNIESA-N. The full InChI is InChI=1S/C30H33Cl2N3O.C27H28Cl2N4O.C26H26Cl2N4O2/c1-20(22-9-3-2-4-10-22)33-30(36)28-25-12-6-5-11-23(19-21-15-17-24(31)18-16-21)29(25)35(34-28)27-14-8-7-13-26(27)32;28-21-14-12-19(13-15-21)18-20-8-2-3-9-22-25(27(34)31-32-16-6-1-7-17-32)30-33(26(20)22)24-11-5-4-10-23(24)29;27-20-11-9-18(10-12-20)17-19-5-1-2-6-21-24(26(33)30-31-13-15-34-16-14-31)29-32(25(19)21)23-8-4-3-7-22(23)28/h7-8,13-20,22H,2-6,9-12H2,1H3,(H,33,36);4-5,10-15,18H,1-3,6-9,16-17H2,(H,31,34);3-4,7-12,17H,1-2,5-6,13-16H2,(H,30,33)/b23-19+;20-18+;19-17+/t20-;;/m0../s1.
What are the key properties of (8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 1515.40 g/mol, XLogP of 20.14, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-morpholin-4-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 157117357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).