[(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide

C79H81Cl5N10O6 — CID 157432796

About [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide

[(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 157432796) has the molecular formula C79H81Cl5N10O6 and a molecular weight of 1443.85 g/mol. Its IUPAC name is [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
• PubChem CID: 157432796
• Molecular Formula: C79H81Cl5N10O6
• Molecular Weight: 1443.85 g/mol
• Exact Mass: 1440.48
• IUPAC Name: [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
• SMILES: COc1ccc(/C=C2\CCCCc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CCCCc3c(C(=O)N[C@@H]4CCC[C@H]4O)nn(-c4ccc(Cl)cc4Cl)c32)cc1.O=C(c1[nH]nc2c1CCCC/C2=C\c1ccc(Cl)cc1)N1CCCCC1
• InChI: InChI=1S/C30H28Cl2N4O2.C28H29Cl2N3O3.C21H24ClN3O/c1-19(26-9-5-6-16-33-26)34-30(37)28-24-8-4-3-7-21(17-20-10-13-23(38-2)14-11-20)29(24)36(35-28)27-15-12-22(31)18-25(27)32;1-36-20-12-9-17(10-13-20)15-18-5-2-3-6-21-26(28(35)31-23-7-4-8-25(23)34)32-33(27(18)21)24-14-11-19(29)16-22(24)30;22-17-10-8-15(9-11-17)14-16-6-2-3-7-18-19(16)23-24-20(18)21(26)25-12-4-1-5-13-25/h5-6,9-19H,3-4,7-8H2,1-2H3,(H,34,37);9-16,23,25,34H,2-8H2,1H3,(H,31,35);8-11,14H,1-7,12-13H2,(H,23,24)/b21-17+;18-15+;16-14+/t;23-,25-;/m.1./s1
• InChIKey: BQSYYLZJHQYQSN-USNSEDLJSA-N
• XLogP: 18.39
• TPSA: 194.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.85
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?

The IUPAC name of [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (CID 157432796) is [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide.

What is the SMILES notation for [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?

The canonical SMILES for [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is COc1ccc(/C=C2\CCCCc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CCCCc3c(C(=O)N[C@@H]4CCC[C@H]4O)nn(-c4ccc(Cl)cc4Cl)c32)cc1.O=C(c1[nH]nc2c1CCCC/C2=C\c1ccc(Cl)cc1)N1CCCCC1.

What is the InChIKey of [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?

The InChIKey is BQSYYLZJHQYQSN-USNSEDLJSA-N. The full InChI is InChI=1S/C30H28Cl2N4O2.C28H29Cl2N3O3.C21H24ClN3O/c1-19(26-9-5-6-16-33-26)34-30(37)28-24-8-4-3-7-21(17-20-10-13-23(38-2)14-11-20)29(24)36(35-28)27-15-12-22(31)18-25(27)32;1-36-20-12-9-17(10-13-20)15-18-5-2-3-6-21-26(28(35)31-23-7-4-8-25(23)34)32-33(27(18)21)24-14-11-19(29)16-22(24)30;22-17-10-8-15(9-11-17)14-16-6-2-3-7-18-19(16)23-24-20(18)21(26)25-12-4-1-5-13-25/h5-6,9-19H,3-4,7-8H2,1-2H3,(H,34,37);9-16,23,25,34H,2-8H2,1H3,(H,31,35);8-11,14H,1-7,12-13H2,(H,23,24)/b21-17+;18-15+;16-14+/t;23-,25-;/m.1./s1.

What are the key properties of [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?

[(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 1443.85 g/mol, XLogP of 18.39, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(8E)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-2H-cyclohepta[c]pyrazol-3-yl]-piperidin-1-ylmethanone;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 157432796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).