(8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide

C91H88Cl6N10O7 — CID 159447518

IUPAC(8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCOc1ccc(/C=C2\CCCCc3c(C(=O)NN4CCCCC4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CCCCc3c(C(=O)N[C@@H]4CCc5ccccc54)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CCCCc3c(C(=O)N[C@H](CO)c4ccccc4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C32H29Cl2N3O2.C31H29Cl2N3O3.C28H30Cl2N4O2/c1-39-24-14-10-20(11-15-24)18-22-7-3-5-9-26-30(32(38)35-28-16-12-21-6-2-4-8-25(21)28)36-37(31(22)26)29-17-13-23(33)19-27(29)34;1-39-24-14-11-20(12-15-24)17-22-9-5-6-10-25-29(31(38)34-27(19-37)21-7-3-2-4-8-21)35-36(30(22)25)28-16-13-23(32)18-26(28)33;1-36-22-12-9-19(10-13-22)17-20-7-3-4-8-23-26(28(35)32-33-15-5-2-6-16-33)31-34(27(20)23)25-14-11-21(29)18-24(25)30/h2,4,6,8,10-11,13-15,17-19,28H,3,5,7,9,12,16H2,1H3,(H,35,38);2-4,7-8,11-18,27,37H,5-6,9-10,19H2,1H3,(H,34,38);9-14,17-18H,2-8,15-16H2,1H3,(H,32,35)/b22-18+;22-17+;20-17+/t28-;27-;/m11./s1
InChIKeyLSYGCVQCHHMOPD-WXJUKLMTSA-N
MW1646.49 g/mol
LogP21.38
Rot. Bonds17

About (8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide

(8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 159447518) has the molecular formula C91H88Cl6N10O7 and a molecular weight of 1646.49 g/mol. Its IUPAC name is (8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID159447518
Molecular FormulaC91H88Cl6N10O7
Molecular Weight1646.49 g/mol
Exact Mass1642.50
IUPAC Name(8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCOc1ccc(/C=C2\CCCCc3c(C(=O)NN4CCCCC4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CCCCc3c(C(=O)N[C@@H]4CCc5ccccc54)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CCCCc3c(C(=O)N[C@H](CO)c4ccccc4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C32H29Cl2N3O2.C31H29Cl2N3O3.C28H30Cl2N4O2/c1-39-24-14-10-20(11-15-24)18-22-7-3-5-9-26-30(32(38)35-28-16-12-21-6-2-4-8-25(21)28)36-37(31(22)26)29-17-13-23(33)19-27(29)34;1-39-24-14-11-20(12-15-24)17-22-9-5-6-10-25-29(31(38)34-27(19-37)21-7-3-2-4-8-21)35-36(30(22)25)28-16-13-23(32)18-26(28)33;1-36-22-12-9-19(10-13-22)17-20-7-3-4-8-23-26(28(35)32-33-15-5-2-6-16-33)31-34(27(20)23)25-14-11-21(29)18-24(25)30/h2,4,6,8,10-11,13-15,17-19,28H,3,5,7,9,12,16H2,1H3,(H,35,38);2-4,7-8,11-18,27,37H,5-6,9-10,19H2,1H3,(H,34,38);9-14,17-18H,2-8,15-16H2,1H3,(H,32,35)/b22-18+;22-17+;20-17+/t28-;27-;/m11./s1
InChIKeyLSYGCVQCHHMOPD-WXJUKLMTSA-N
XLogP21.38
TPSA191.92 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001646.49
LogP ≤ 521.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze (8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)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-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of (8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (CID 159447518) is (8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for (8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for (8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is COc1ccc(/C=C2\CCCCc3c(C(=O)NN4CCCCC4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CCCCc3c(C(=O)N[C@@H]4CCc5ccccc54)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CCCCc3c(C(=O)N[C@H](CO)c4ccccc4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.
What is the InChIKey of (8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is LSYGCVQCHHMOPD-WXJUKLMTSA-N. The full InChI is InChI=1S/C32H29Cl2N3O2.C31H29Cl2N3O3.C28H30Cl2N4O2/c1-39-24-14-10-20(11-15-24)18-22-7-3-5-9-26-30(32(38)35-28-16-12-21-6-2-4-8-25(21)28)36-37(31(22)26)29-17-13-23(33)19-27(29)34;1-39-24-14-11-20(12-15-24)17-22-9-5-6-10-25-29(31(38)34-27(19-37)21-7-3-2-4-8-21)35-36(30(22)25)28-16-13-23(32)18-26(28)33;1-36-22-12-9-19(10-13-22)17-20-7-3-4-8-23-26(28(35)32-33-15-5-2-6-16-33)31-34(27(20)23)25-14-11-21(29)18-24(25)30/h2,4,6,8,10-11,13-15,17-19,28H,3,5,7,9,12,16H2,1H3,(H,35,38);2-4,7-8,11-18,27,37H,5-6,9-10,19H2,1H3,(H,34,38);9-14,17-18H,2-8,15-16H2,1H3,(H,32,35)/b22-18+;22-17+;20-17+/t28-;27-;/m11./s1.
What are the key properties of (8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
(8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 1646.49 g/mol, XLogP of 21.38, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-1-(2,4-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 159447518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).