methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol

C121H127N23O5 — CID 163465980

About methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol

methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol (PubChem CID 163465980) has the molecular formula C121H127N23O5 and a molecular weight of 1983.50 g/mol. Its IUPAC name is methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol.

Molecular Properties

• Compound Name: methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol
• PubChem CID: 163465980
• Molecular Formula: C121H127N23O5
• Molecular Weight: 1983.50 g/mol
• Exact Mass: 1982.04
• IUPAC Name: methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol
• SMILES: C.C.C.C.C.C.COc1cc2[nH]ncc2c2c3c(c(-c4ccc(O)cc4)nc12)CCCC3.Cn1ncc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.Oc1ccc(-c2nc3cn[nH]c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3cnc4[nH]ncc4c3c3c2CCCC3)cc1.[H]/N=C(\N)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
• InChI: InChI=1S/C21H19N5.C21H19N3O2.C21H19N3O.C19H16N4O.C17H15N5.C16H15N3O.6CH4/c22-21(23)13-7-5-12(6-8-13)20-15-4-2-1-3-14(15)19-16-11-24-26-17(16)9-10-18(19)25-20;1-26-18-10-17-16(11-22-24-17)19-14-4-2-3-5-15(14)20(23-21(18)19)12-6-8-13(25)9-7-12;1-24-19-11-10-18-20(17(19)12-22-24)15-4-2-3-5-16(15)21(23-18)13-6-8-14(25)9-7-13;24-12-7-5-11(6-8-12)18-14-4-2-1-3-13(14)17-15-9-21-23-19(15)20-10-16(17)22-18;1-2-4-12-11(3-1)16-13-9-20-22-14(13)5-6-15(16)21-17(12)10-7-18-19-8-10;20-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)16-14(18-15)9-17-19-16;;;;;;/h5-11H,1-4H2,(H3,22,23)(H,24,26);6-11,25H,2-5H2,1H3,(H,22,24);6-12,25H,2-5H2,1H3;5-10,24H,1-4H2,(H,20,21,23);5-9H,1-4H2,(H,18,19)(H,20,22);5-9,20H,1-4H2,(H,17,19);6*1H4
• InChIKey: BSPRGELKISBFNI-UHFFFAOYSA-N
• XLogP: 26.85
• TPSA: 420.15 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1983.50
LogP ≤ 5	26.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol?

The IUPAC name of methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol (CID 163465980) is methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol.

What is the SMILES notation for methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol?

The canonical SMILES for methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol is C.C.C.C.C.C.COc1cc2[nH]ncc2c2c3c(c(-c4ccc(O)cc4)nc12)CCCC3.Cn1ncc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.Oc1ccc(-c2nc3cn[nH]c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3cnc4[nH]ncc4c3c3c2CCCC3)cc1.[H]/N=C(\N)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.

What is the InChIKey of methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol?

The InChIKey is BSPRGELKISBFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5.C21H19N3O2.C21H19N3O.C19H16N4O.C17H15N5.C16H15N3O.6CH4/c22-21(23)13-7-5-12(6-8-13)20-15-4-2-1-3-14(15)19-16-11-24-26-17(16)9-10-18(19)25-20;1-26-18-10-17-16(11-22-24-17)19-14-4-2-3-5-15(14)20(23-21(18)19)12-6-8-13(25)9-7-12;1-24-19-11-10-18-20(17(19)12-22-24)15-4-2-3-5-16(15)21(23-18)13-6-8-14(25)9-7-13;24-12-7-5-11(6-8-12)18-14-4-2-1-3-13(14)17-15-9-21-23-19(15)20-10-16(17)22-18;1-2-4-12-11(3-1)16-13-9-20-22-14(13)5-6-15(16)21-17(12)10-7-18-19-8-10;20-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)16-14(18-15)9-17-19-16;;;;;;/h5-11H,1-4H2,(H3,22,23)(H,24,26);6-11,25H,2-5H2,1H3,(H,22,24);6-12,25H,2-5H2,1H3;5-10,24H,1-4H2,(H,20,21,23);5-9H,1-4H2,(H,18,19)(H,20,22);5-9,20H,1-4H2,(H,17,19);6*1H4.

What are the key properties of methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol?

methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol has a molecular weight of 1983.50 g/mol, XLogP of 26.85, 8 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol is sourced from PubChem (CID 163465980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).