7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol

C93H87IN24O3 — CID 163843872

About 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol

7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol (PubChem CID 163843872) has the molecular formula C93H87IN24O3 and a molecular weight of 1715.79 g/mol. Its IUPAC name is 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol
• PubChem CID: 163843872
• Molecular Formula: C93H87IN24O3
• Molecular Weight: 1715.79 g/mol
• Exact Mass: 1714.64
• IUPAC Name: 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol
• SMILES: COC(=O)c1[nH]ccc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(I)c3c2c2c1CCCC2.Cc1nn(C)cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.OCCn1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.c1ncc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)[nH]1
• InChI: InChI=1S/C20H18N4O2.C19H19N5O.C19H19N5.C18H16IN5.C17H15N5/c1-26-20(25)19-13(8-9-21-19)18-12-5-3-2-4-11(12)17-14-10-22-24-15(14)6-7-16(17)23-18;25-8-7-24-11-12(9-21-24)19-14-4-2-1-3-13(14)18-15-10-20-23-16(15)5-6-17(18)22-19;1-11-15(10-24(2)23-11)19-13-6-4-3-5-12(13)18-14-9-20-22-16(14)7-8-17(18)21-19;1-9-12(8-20-22-9)17-11-5-3-2-4-10(11)15-13(21-17)6-7-14-16(15)18(19)24-23-14;1-2-4-11-10(3-1)16-12-7-20-22-13(12)5-6-14(16)21-17(11)15-8-18-9-19-15/h6-10,21H,2-5H2,1H3,(H,22,24);5-6,9-11,25H,1-4,7-8H2,(H,20,23);7-10H,3-6H2,1-2H3,(H,20,22);6-8H,2-5H2,1H3,(H,20,22)(H,23,24);5-9H,1-4H2,(H,18,19)(H,20,22)
• InChIKey: OOJZMCQUFHPJCH-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 363.17 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1715.79
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol?

The IUPAC name of 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol (CID 163843872) is 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol.

What is the SMILES notation for 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol?

The canonical SMILES for 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol is COC(=O)c1[nH]ccc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(I)c3c2c2c1CCCC2.Cc1nn(C)cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.OCCn1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.c1ncc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)[nH]1.

What is the InChIKey of 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol?

The InChIKey is OOJZMCQUFHPJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2.C19H19N5O.C19H19N5.C18H16IN5.C17H15N5/c1-26-20(25)19-13(8-9-21-19)18-12-5-3-2-4-11(12)17-14-10-22-24-15(14)6-7-16(17)23-18;25-8-7-24-11-12(9-21-24)19-14-4-2-1-3-13(14)18-15-10-20-23-16(15)5-6-17(18)22-19;1-11-15(10-24(2)23-11)19-13-6-4-3-5-12(13)18-14-9-20-22-16(14)7-8-17(18)21-19;1-9-12(8-20-22-9)17-11-5-3-2-4-10(11)15-13(21-17)6-7-14-16(15)18(19)24-23-14;1-2-4-11-10(3-1)16-12-7-20-22-13(12)5-6-14(16)21-17(11)15-8-18-9-19-15/h6-10,21H,2-5H2,1H3,(H,22,24);5-6,9-11,25H,1-4,7-8H2,(H,20,23);7-10H,3-6H2,1-2H3,(H,20,22);6-8H,2-5H2,1H3,(H,20,22)(H,23,24);5-9H,1-4H2,(H,18,19)(H,20,22).

What are the key properties of 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol?

7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol has a molecular weight of 1715.79 g/mol, XLogP of 17.99, 8 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-imidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-iodo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;methyl 3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrrole-2-carboxylate;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 163843872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).