1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea

C87H104N16O8 — CID 159351712

IUPAC1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea
SMILESCCC(=O)c1ccc(-c2cc(NC(=O)N[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)n(C)n2)cc1.COCC[C@@H]1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)[C@@H]1C.COCC[C@]1(O)C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C30H36N6O2.C29H34N6O3.C28H34N4O3/c1-20-23(15-16-38-4)17-26(27(20)22-11-7-5-8-12-22)32-30(37)33-29-21(2)28(24-18-31-35(3)19-24)34-36(29)25-13-9-6-10-14-25;1-20-26(22-18-30-34(2)19-22)33-35(23-12-8-5-9-13-23)27(20)32-28(36)31-25-17-29(37,14-15-38-3)16-24(25)21-10-6-4-7-11-21;1-4-26(33)22-12-10-21(11-13-22)24-18-27(32(2)31-24)30-28(34)29-25-17-19(14-15-35-3)16-23(25)20-8-6-5-7-9-20/h5-14,18-20,23,26-27H,15-17H2,1-4H3,(H2,32,33,37);4-13,18-19,24-25,37H,14-17H2,1-3H3,(H2,31,32,36);5-13,18-19,23,25H,4,14-17H2,1-3H3,(H2,29,30,34)/t20-,23-,26-,27+;24-,25+,29+;19-,23-,25+/m100/s1
InChIKeyLHKFNKZZDBMCBO-FOUVPWFGSA-N
MW1501.89 g/mol
LogP15.36
Rot. Bonds25

About 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea

1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea (PubChem CID 159351712) has the molecular formula C87H104N16O8 and a molecular weight of 1501.89 g/mol. Its IUPAC name is 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea
PubChem CID159351712
Molecular FormulaC87H104N16O8
Molecular Weight1501.89 g/mol
Exact Mass1500.82
IUPAC Name1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea
SMILESCCC(=O)c1ccc(-c2cc(NC(=O)N[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)n(C)n2)cc1.COCC[C@@H]1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)[C@@H]1C.COCC[C@]1(O)C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C30H36N6O2.C29H34N6O3.C28H34N4O3/c1-20-23(15-16-38-4)17-26(27(20)22-11-7-5-8-12-22)32-30(37)33-29-21(2)28(24-18-31-35(3)19-24)34-36(29)25-13-9-6-10-14-25;1-20-26(22-18-30-34(2)19-22)33-35(23-12-8-5-9-13-23)27(20)32-28(36)31-25-17-29(37,14-15-38-3)16-24(25)21-10-6-4-7-11-21;1-4-26(33)22-12-10-21(11-13-22)24-18-27(32(2)31-24)30-28(34)29-25-17-19(14-15-35-3)16-23(25)20-8-6-5-7-9-20/h5-14,18-20,23,26-27H,15-17H2,1-4H3,(H2,32,33,37);4-13,18-19,24-25,37H,14-17H2,1-3H3,(H2,31,32,36);5-13,18-19,23,25H,4,14-17H2,1-3H3,(H2,29,30,34)/t20-,23-,26-,27+;24-,25+,29+;19-,23-,25+/m100/s1
InChIKeyLHKFNKZZDBMCBO-FOUVPWFGSA-N
XLogP15.36
TPSA277.48 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001501.89
LogP ≤ 515.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R,2S,4S)-2-(4-fluorophenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130355286
1-[(1R,2S)-2-(3,4-dihydroxyphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130355261
4-[5-[[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]benzoic acid
CID 130355253
1-[(2R,3S)-5-(2-methoxyethyl)-2-phenyloxolan-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 135226228
1-[(1R,2S)-4-(2-cyclopropyloxyethyl)-2-(2-fluoro-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 155279805
1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea
CID 137495294
1-[(6S,7R)-2-hydroxy-6-phenylspiro[3.4]octan-7-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130355241
1-[(3S,4R)-4-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 137495184
1-[(1R,2S,4S)-2-(2-fluoro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 137495130
1-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]-3-[(1R,2S)-2-phenylcyclopentyl]urea
CID 130355187
1-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)-1-methylpyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130355256
1-[(3S,4S)-4-(3,4-difluorophenyl)-5-ethyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130355245

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea?
The IUPAC name of 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea (CID 159351712) is 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea?
The canonical SMILES for 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea is CCC(=O)c1ccc(-c2cc(NC(=O)N[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)n(C)n2)cc1.COCC[C@@H]1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)[C@@H]1C.COCC[C@]1(O)C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea?
The InChIKey is LHKFNKZZDBMCBO-FOUVPWFGSA-N. The full InChI is InChI=1S/C30H36N6O2.C29H34N6O3.C28H34N4O3/c1-20-23(15-16-38-4)17-26(27(20)22-11-7-5-8-12-22)32-30(37)33-29-21(2)28(24-18-31-35(3)19-24)34-36(29)25-13-9-6-10-14-25;1-20-26(22-18-30-34(2)19-22)33-35(23-12-8-5-9-13-23)27(20)32-28(36)31-25-17-29(37,14-15-38-3)16-24(25)21-10-6-4-7-11-21;1-4-26(33)22-12-10-21(11-13-22)24-18-27(32(2)31-24)30-28(34)29-25-17-19(14-15-35-3)16-23(25)20-8-6-5-7-9-20/h5-14,18-20,23,26-27H,15-17H2,1-4H3,(H2,32,33,37);4-13,18-19,24-25,37H,14-17H2,1-3H3,(H2,31,32,36);5-13,18-19,23,25H,4,14-17H2,1-3H3,(H2,29,30,34)/t20-,23-,26-,27+;24-,25+,29+;19-,23-,25+/m100/s1.
What are the key properties of 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea?
1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea has a molecular weight of 1501.89 g/mol, XLogP of 15.36, 25 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,4R)-4-hydroxy-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-4-(2-methoxyethyl)-3-methyl-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(4-propanoylphenyl)pyrazol-5-yl]urea is sourced from PubChem (CID 159351712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).