[(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C102H107BBr2N18O18S4 — CID 162194590

About [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

[(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 162194590) has the molecular formula C102H107BBr2N18O18S4 and a molecular weight of 2171.97 g/mol. Its IUPAC name is [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 162194590
• Molecular Formula: C102H107BBr2N18O18S4
• Molecular Weight: 2171.97 g/mol
• Exact Mass: 2168.54
• IUPAC Name: [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N[C@H]3CC[C@H](O)C3)nn1-c1ccsc1)CO2.COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)O[C@H]3CC[C@H](N)C3)nn1-c1ccsc1)CO2.COc1cc2c(cc1Br)-c1c(c(C(=O)N[C@H]3CC[C@H](O)C3)nn1-c1ccsc1)CO2.COc1cc2c(cc1Br)-c1c(c(C(=O)O[C@H]3CC[C@H](N)C3)nn1-c1ccsc1)CO2.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1
• InChI: InChI=1S/2C25H25N5O4S.2C21H20BrN3O4S.C10H17BN2O2/c1-29-7-5-20(27-29)17-10-18-22(11-21(17)32-2)33-12-19-23(25(31)34-16-4-3-14(26)9-16)28-30(24(18)19)15-6-8-35-13-15;1-29-7-5-20(27-29)17-10-18-22(11-21(17)33-2)34-12-19-23(25(32)26-14-3-4-16(31)9-14)28-30(24(18)19)15-6-8-35-13-15;1-27-18-8-17-14(7-16(18)22)20-15(9-28-17)19(24-25(20)12-4-5-30-10-12)21(26)29-13-3-2-11(23)6-13;1-28-18-8-17-14(7-16(18)22)20-15(9-29-17)19(24-25(20)12-4-5-30-10-12)21(27)23-11-2-3-13(26)6-11;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8/h5-8,10-11,13-14,16H,3-4,9,12,26H2,1-2H3;5-8,10-11,13-14,16,31H,3-4,9,12H2,1-2H3,(H,26,32);4-5,7-8,10-11,13H,2-3,6,9,23H2,1H3;4-5,7-8,10-11,13,26H,2-3,6,9H2,1H3,(H,23,27);6-7H,1-5H3/t2*14-,16-;2*11-,13-;/m0000./s1
• InChIKey: ZQTSZNQCBGPSGL-ROHHQVSTSA-N
• XLogP: 16.41
• TPSA: 420.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 19
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2171.97
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 162194590) is [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N[C@H]3CC[C@H](O)C3)nn1-c1ccsc1)CO2.COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)O[C@H]3CC[C@H](N)C3)nn1-c1ccsc1)CO2.COc1cc2c(cc1Br)-c1c(c(C(=O)N[C@H]3CC[C@H](O)C3)nn1-c1ccsc1)CO2.COc1cc2c(cc1Br)-c1c(c(C(=O)O[C@H]3CC[C@H](N)C3)nn1-c1ccsc1)CO2.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.

What is the InChIKey of [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is ZQTSZNQCBGPSGL-ROHHQVSTSA-N. The full InChI is InChI=1S/2C25H25N5O4S.2C21H20BrN3O4S.C10H17BN2O2/c1-29-7-5-20(27-29)17-10-18-22(11-21(17)32-2)33-12-19-23(25(31)34-16-4-3-14(26)9-16)28-30(24(18)19)15-6-8-35-13-15;1-29-7-5-20(27-29)17-10-18-22(11-21(17)33-2)34-12-19-23(25(32)26-14-3-4-16(31)9-14)28-30(24(18)19)15-6-8-35-13-15;1-27-18-8-17-14(7-16(18)22)20-15(9-28-17)19(24-25(20)12-4-5-30-10-12)21(26)29-13-3-2-11(23)6-13;1-28-18-8-17-14(7-16(18)22)20-15(9-29-17)19(24-25(20)12-4-5-30-10-12)21(27)23-11-2-3-13(26)6-11;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8/h5-8,10-11,13-14,16H,3-4,9,12,26H2,1-2H3;5-8,10-11,13-14,16,31H,3-4,9,12H2,1-2H3,(H,26,32);4-5,7-8,10-11,13H,2-3,6,9,23H2,1H3;4-5,7-8,10-11,13,26H,2-3,6,9H2,1H3,(H,23,27);6-7H,1-5H3/t2*14-,16-;2*11-,13-;/m0000./s1.

What are the key properties of [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

[(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2171.97 g/mol, XLogP of 16.41, 19 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3S)-3-aminocyclopentyl] 8-bromo-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;[(1S,3S)-3-aminocyclopentyl] 7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylate;8-bromo-N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 162194590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).