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

C85H100F2N16O7 — CID 159734964

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

1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (PubChem CID 159734964) has the molecular formula C85H100F2N16O7 and a molecular weight of 1495.84 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

• Compound Name: 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
• PubChem CID: 159734964
• Molecular Formula: C85H100F2N16O7
• Molecular Weight: 1495.84 g/mol
• Exact Mass: 1494.79
• IUPAC Name: 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
• SMILES: CCOc1nn(-c2ccccc2)c(NC(=O)N[C@@H]2C[C@@H](CCOC)C[C@H]2c2ccccc2)c1C.COCC[C@@H]1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)[C@@H]1F.COCC[C@@H]1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)[C@H]1F
• InChI: InChI=1S/2C29H33FN6O2.C27H34N4O3/c2*1-19-27(22-17-31-35(2)18-22)34-36(23-12-8-5-9-13-23)28(19)33-29(37)32-24-16-21(14-15-38-3)26(30)25(24)20-10-6-4-7-11-20;1-4-34-26-19(2)25(31(30-26)22-13-9-6-10-14-22)29-27(32)28-24-18-20(15-16-33-3)17-23(24)21-11-7-5-8-12-21/h2*4-13,17-18,21,24-26H,14-16H2,1-3H3,(H2,32,33,37);5-14,20,23-24H,4,15-18H2,1-3H3,(H2,28,29,32)/t21-,24-,25+,26+;21-,24-,25+,26-;20-,23-,24+/m110/s1
• InChIKey: NBSHYBUANSEMMT-VAUGDIEBSA-N
• XLogP: 15.80
• TPSA: 249.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1495.84
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?

The IUPAC name of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (CID 159734964) is 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.

What is the SMILES notation for 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?

The canonical SMILES for 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is CCOc1nn(-c2ccccc2)c(NC(=O)N[C@@H]2C[C@@H](CCOC)C[C@H]2c2ccccc2)c1C.COCC[C@@H]1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)[C@@H]1F.COCC[C@@H]1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)[C@H]1F.

What is the InChIKey of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?

The InChIKey is NBSHYBUANSEMMT-VAUGDIEBSA-N. The full InChI is InChI=1S/2C29H33FN6O2.C27H34N4O3/c2*1-19-27(22-17-31-35(2)18-22)34-36(23-12-8-5-9-13-23)28(19)33-29(37)32-24-16-21(14-15-38-3)26(30)25(24)20-10-6-4-7-11-20;1-4-34-26-19(2)25(31(30-26)22-13-9-6-10-14-22)29-27(32)28-24-18-20(15-16-33-3)17-23(24)21-11-7-5-8-12-21/h2*4-13,17-18,21,24-26H,14-16H2,1-3H3,(H2,32,33,37);5-14,20,23-24H,4,15-18H2,1-3H3,(H2,28,29,32)/t21-,24-,25+,26+;21-,24-,25+,26-;20-,23-,24+/m110/s1.

What are the key properties of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?

1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 1495.84 g/mol, XLogP of 15.80, 25 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea;1-[(1R,2S,3S,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[(1R,2S,3R,4S)-3-fluoro-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 159734964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).