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

C114H138N20O11 — CID 157312415

IUPAC1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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
SMILESCCC(=O)c1ccc(-c2cc(NC(=O)N[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)n(C)n2)cc1.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]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.C27H34N4O3/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;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/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);5-14,20,23-24H,4,15-18H2,1-3H3,(H2,28,29,32)/t20-,23-,26-,27+;24-,25+,29+;19-,23-,25+;20-,23-,24+/m1000/s1
InChIKeyBDERXLWIUSKXDC-ITOIOTAWSA-N
MW1964.49 g/mol
LogP20.66
Rot. Bonds34

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

1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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 157312415) has the molecular formula C114H138N20O11 and a molecular weight of 1964.49 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,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-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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 CID157312415
Molecular FormulaC114H138N20O11
Molecular Weight1964.49 g/mol
Exact Mass1963.09
IUPAC Name1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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
SMILESCCC(=O)c1ccc(-c2cc(NC(=O)N[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)n(C)n2)cc1.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]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.C27H34N4O3/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;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/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);5-14,20,23-24H,4,15-18H2,1-3H3,(H2,28,29,32)/t20-,23-,26-,27+;24-,25+,29+;19-,23-,25+;20-,23-,24+/m1000/s1
InChIKeyBDERXLWIUSKXDC-ITOIOTAWSA-N
XLogP20.66
TPSA354.89 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001964.49
LogP ≤ 520.66
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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 with MolForge

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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,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-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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 (CID 157312415) is 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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.
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,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-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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 is CCC(=O)c1ccc(-c2cc(NC(=O)N[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)n(C)n2)cc1.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]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-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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?
The InChIKey is BDERXLWIUSKXDC-ITOIOTAWSA-N. The full InChI is InChI=1S/C30H36N6O2.C29H34N6O3.C28H34N4O3.C27H34N4O3/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;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/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);5-14,20,23-24H,4,15-18H2,1-3H3,(H2,28,29,32)/t20-,23-,26-,27+;24-,25+,29+;19-,23-,25+;20-,23-,24+/m1000/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,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-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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 1964.49 g/mol, XLogP of 20.66, 34 rotatable bonds, 9 hydrogen bond donors, and 23 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,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 157312415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).