(8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide

C87H88Cl2F5N11O7 — CID 158132326

IUPAC(8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCOc1ccc(/C=C2\CCCCc3c(C(=O)N[C@@H]4CCC[C@H]4O)nn(-c4ccc(Cl)cc4Cl)c32)cc1.O=C(N[C@@H](CO)c1ccccc1)c1nn(C2CCCCC2)c2c1CCCC/C2=C\c1ccc(F)cc1.O=C(N[C@H](CO)c1ccccc1)c1nn(-c2nccc(C(F)(F)F)n2)c2c1CCCC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C30H34FN3O2.C29H25F4N5O2.C28H29Cl2N3O3/c31-24-17-15-21(16-18-24)19-23-11-7-8-14-26-28(33-34(29(23)26)25-12-5-2-6-13-25)30(36)32-27(20-35)22-9-3-1-4-10-22;30-21-12-10-18(11-13-21)16-20-8-4-5-9-22-25(27(40)35-23(17-39)19-6-2-1-3-7-19)37-38(26(20)22)28-34-15-14-24(36-28)29(31,32)33;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/h1,3-4,9-10,15-19,25,27,35H,2,5-8,11-14,20H2,(H,32,36);1-3,6-7,10-16,23,39H,4-5,8-9,17H2,(H,35,40);9-16,23,25,34H,2-8H2,1H3,(H,31,35)/b23-19+;20-16+;18-15+/t27-;23-;23-,25-/m011/s1
InChIKeyFSXVULNQNQDBFK-SXUSMGKYSA-N
MW1565.63 g/mol
LogP17.91
Rot. Bonds17

About (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide

(8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 158132326) has the molecular formula C87H88Cl2F5N11O7 and a molecular weight of 1565.63 g/mol. Its IUPAC name is (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID158132326
Molecular FormulaC87H88Cl2F5N11O7
Molecular Weight1565.63 g/mol
Exact Mass1563.62
IUPAC Name(8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCOc1ccc(/C=C2\CCCCc3c(C(=O)N[C@@H]4CCC[C@H]4O)nn(-c4ccc(Cl)cc4Cl)c32)cc1.O=C(N[C@@H](CO)c1ccccc1)c1nn(C2CCCCC2)c2c1CCCC/C2=C\c1ccc(F)cc1.O=C(N[C@H](CO)c1ccccc1)c1nn(-c2nccc(C(F)(F)F)n2)c2c1CCCC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C30H34FN3O2.C29H25F4N5O2.C28H29Cl2N3O3/c31-24-17-15-21(16-18-24)19-23-11-7-8-14-26-28(33-34(29(23)26)25-12-5-2-6-13-25)30(36)32-27(20-35)22-9-3-1-4-10-22;30-21-12-10-18(11-13-21)16-20-8-4-5-9-22-25(27(40)35-23(17-39)19-6-2-1-3-7-19)37-38(26(20)22)28-34-15-14-24(36-28)29(31,32)33;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/h1,3-4,9-10,15-19,25,27,35H,2,5-8,11-14,20H2,(H,32,36);1-3,6-7,10-16,23,39H,4-5,8-9,17H2,(H,35,40);9-16,23,25,34H,2-8H2,1H3,(H,31,35)/b23-19+;20-16+;18-15+/t27-;23-;23-,25-/m011/s1
InChIKeyFSXVULNQNQDBFK-SXUSMGKYSA-N
XLogP17.91
TPSA236.46 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001565.63
LogP ≤ 517.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide with MolForge

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Related Compounds

(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-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 161047762
[(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
(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(2-phenylpropan-2-yl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 159649970
(8R)-8-[(3-chlorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide;(8S)-8-[(3-chlorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 160887683
(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)methylidene]-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 161588997

Frequently Asked Questions

What is the IUPAC name of (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide (CID 158132326) is (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is COc1ccc(/C=C2\CCCCc3c(C(=O)N[C@@H]4CCC[C@H]4O)nn(-c4ccc(Cl)cc4Cl)c32)cc1.O=C(N[C@@H](CO)c1ccccc1)c1nn(C2CCCCC2)c2c1CCCC/C2=C\c1ccc(F)cc1.O=C(N[C@H](CO)c1ccccc1)c1nn(-c2nccc(C(F)(F)F)n2)c2c1CCCC/C2=C\c1ccc(F)cc1.
What is the InChIKey of (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is FSXVULNQNQDBFK-SXUSMGKYSA-N. The full InChI is InChI=1S/C30H34FN3O2.C29H25F4N5O2.C28H29Cl2N3O3/c31-24-17-15-21(16-18-24)19-23-11-7-8-14-26-28(33-34(29(23)26)25-12-5-2-6-13-25)30(36)32-27(20-35)22-9-3-1-4-10-22;30-21-12-10-18(11-13-21)16-20-8-4-5-9-22-25(27(40)35-23(17-39)19-6-2-1-3-7-19)37-38(26(20)22)28-34-15-14-24(36-28)29(31,32)33;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/h1,3-4,9-10,15-19,25,27,35H,2,5-8,11-14,20H2,(H,32,36);1-3,6-7,10-16,23,39H,4-5,8-9,17H2,(H,35,40);9-16,23,25,34H,2-8H2,1H3,(H,31,35)/b23-19+;20-16+;18-15+/t27-;23-;23-,25-/m011/s1.
What are the key properties of (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide?
(8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 1565.63 g/mol, XLogP of 17.91, 17 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-1-cyclohexyl-8-[(4-fluorophenyl)methylidene]-N-[(1R)-2-hydroxy-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-8-[(4-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 158132326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).