1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone

C139H146N16O10 — CID 159616230

IUPAC1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OC(CN1CCCC1)c1ccccc1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OC1CCCCC1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCC1CCCCC1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCc1cccnc1.O=C(Cc1ccccc1)c1ccc(-c2cn[nH]c2)cc1OCc1ccccc1
InChIInChI=1S/C33H36N4O2.C28H33N3O2.C27H26N4O2.C27H31N3O2.C24H20N2O2/c38-31(19-24-8-9-25-12-14-34-15-13-28(25)18-24)30-11-10-27(29-21-35-36-22-29)20-32(30)39-33(23-37-16-4-5-17-37)26-6-2-1-3-7-26;32-27(15-21-6-7-22-10-12-29-13-11-24(22)14-21)26-9-8-23(25-17-30-31-18-25)16-28(26)33-19-20-4-2-1-3-5-20;32-26(13-19-3-4-21-7-10-28-11-8-23(21)12-19)25-6-5-22(24-16-30-31-17-24)14-27(25)33-18-20-2-1-9-29-15-20;31-26(15-19-6-7-20-10-12-28-13-11-22(20)14-19)25-9-8-21(23-17-29-30-18-23)16-27(25)32-24-4-2-1-3-5-24;27-23(13-18-7-3-1-4-8-18)22-12-11-20(21-15-25-26-16-21)14-24(22)28-17-19-9-5-2-6-10-19/h1-3,6-11,18,20-22,33-34H,4-5,12-17,19,23H2,(H,35,36);6-9,14,16-18,20,29H,1-5,10-13,15,19H2,(H,30,31);1-6,9,12,14-17,28H,7-8,10-11,13,18H2,(H,30,31);6-9,14,16-18,24,28H,1-5,10-13,15H2,(H,29,30);1-12,14-16H,13,17H2,(H,25,26)
InChIKeyMNHXZHVJKYBJJB-UHFFFAOYSA-N
MW2200.80 g/mol
LogP24.70
Rot. Bonds36

About 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone

1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone (PubChem CID 159616230) has the molecular formula C139H146N16O10 and a molecular weight of 2200.80 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone.

Molecular Properties

Compound Name1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
PubChem CID159616230
Molecular FormulaC139H146N16O10
Molecular Weight2200.80 g/mol
Exact Mass2199.14
IUPAC Name1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OC(CN1CCCC1)c1ccccc1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OC1CCCCC1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCC1CCCCC1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCc1cccnc1.O=C(Cc1ccccc1)c1ccc(-c2cn[nH]c2)cc1OCc1ccccc1
InChIInChI=1S/C33H36N4O2.C28H33N3O2.C27H26N4O2.C27H31N3O2.C24H20N2O2/c38-31(19-24-8-9-25-12-14-34-15-13-28(25)18-24)30-11-10-27(29-21-35-36-22-29)20-32(30)39-33(23-37-16-4-5-17-37)26-6-2-1-3-7-26;32-27(15-21-6-7-22-10-12-29-13-11-24(22)14-21)26-9-8-23(25-17-30-31-18-25)16-28(26)33-19-20-4-2-1-3-5-20;32-26(13-19-3-4-21-7-10-28-11-8-23(21)12-19)25-6-5-22(24-16-30-31-17-24)14-27(25)33-18-20-2-1-9-29-15-20;31-26(15-19-6-7-20-10-12-28-13-11-22(20)14-19)25-9-8-21(23-17-29-30-18-23)16-27(25)32-24-4-2-1-3-5-24;27-23(13-18-7-3-1-4-8-18)22-12-11-20(21-15-25-26-16-21)14-24(22)28-17-19-9-5-2-6-10-19/h1-3,6-11,18,20-22,33-34H,4-5,12-17,19,23H2,(H,35,36);6-9,14,16-18,20,29H,1-5,10-13,15,19H2,(H,30,31);1-6,9,12,14-17,28H,7-8,10-11,13,18H2,(H,30,31);6-9,14,16-18,24,28H,1-5,10-13,15H2,(H,29,30);1-12,14-16H,13,17H2,(H,25,26)
InChIKeyMNHXZHVJKYBJJB-UHFFFAOYSA-N
XLogP24.70
TPSA339.15 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002200.80
LogP ≤ 524.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone with MolForge

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Related Compounds

N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
CID 158456078
2-(2,6-Dimethylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-phenylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-3-phenylpropan-1-one;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-4-ylethanone
CID 159234906
N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-5-pyridin-4-ylbenzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;sulfane
CID 159455150
1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 159612133
N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-(2-methoxyethoxy)-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methoxy-4-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide
CID 160491284
1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one
CID 160626074
tert-butyl 7-[2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]-2-phenylmethoxyphenyl]-2-oxoethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate;tert-butyl 3-methylpyrazole-1-carboxylate;1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)ethanone;1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 161481914
2-(3-Fluorophenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;2-(3-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-(4-phenoxyphenyl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-propan-2-yloxyphenyl]-2-pyridin-3-ylethanone
CID 161537767

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone?
The IUPAC name of 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone (CID 159616230) is 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone.
What is the SMILES notation for 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone?
The canonical SMILES for 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone is O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OC(CN1CCCC1)c1ccccc1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OC1CCCCC1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCC1CCCCC1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCc1cccnc1.O=C(Cc1ccccc1)c1ccc(-c2cn[nH]c2)cc1OCc1ccccc1.
What is the InChIKey of 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone?
The InChIKey is MNHXZHVJKYBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O2.C28H33N3O2.C27H26N4O2.C27H31N3O2.C24H20N2O2/c38-31(19-24-8-9-25-12-14-34-15-13-28(25)18-24)30-11-10-27(29-21-35-36-22-29)20-32(30)39-33(23-37-16-4-5-17-37)26-6-2-1-3-7-26;32-27(15-21-6-7-22-10-12-29-13-11-24(22)14-21)26-9-8-23(25-17-30-31-18-25)16-28(26)33-19-20-4-2-1-3-5-20;32-26(13-19-3-4-21-7-10-28-11-8-23(21)12-19)25-6-5-22(24-16-30-31-17-24)14-27(25)33-18-20-2-1-9-29-15-20;31-26(15-19-6-7-20-10-12-28-13-11-22(20)14-19)25-9-8-21(23-17-29-30-18-23)16-27(25)32-24-4-2-1-3-5-24;27-23(13-18-7-3-1-4-8-18)22-12-11-20(21-15-25-26-16-21)14-24(22)28-17-19-9-5-2-6-10-19/h1-3,6-11,18,20-22,33-34H,4-5,12-17,19,23H2,(H,35,36);6-9,14,16-18,20,29H,1-5,10-13,15,19H2,(H,30,31);1-6,9,12,14-17,28H,7-8,10-11,13,18H2,(H,30,31);6-9,14,16-18,24,28H,1-5,10-13,15H2,(H,29,30);1-12,14-16H,13,17H2,(H,25,26).
What are the key properties of 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone?
1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone has a molecular weight of 2200.80 g/mol, XLogP of 24.70, 36 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-cyclohexyloxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;2-phenyl-1-[2-phenylmethoxy-4-(1H-pyrazol-4-yl)phenyl]ethanone;1-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(pyridin-3-ylmethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone is sourced from PubChem (CID 159616230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).