1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol

C101H82F12N18O3 — CID 158021474

About 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol

1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol (PubChem CID 158021474) has the molecular formula C101H82F12N18O3 and a molecular weight of 1823.87 g/mol. Its IUPAC name is 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol.

Molecular Properties

• Compound Name: 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
• PubChem CID: 158021474
• Molecular Formula: C101H82F12N18O3
• Molecular Weight: 1823.87 g/mol
• Exact Mass: 1822.66
• IUPAC Name: 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
• SMILES: Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.FC(F)(F)c1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)n[nH]1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)c1
• InChI: InChI=1S/C22H17F3N2O.2C21H16F3N3O.C19H19N5.C18H14F3N5/c23-22(24,25)13-3-6-15-17(11-13)21(12-1-4-14(28)5-2-12)27-19-8-7-18-16(20(15)19)9-10-26-18;2*22-21(23,24)16-9-11(28)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-25-27-17(15)7-8-18(19)26-20;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16;19-18(20,21)15-7-14(25-26-15)17-10-4-2-1-3-9(10)16-11-8-22-24-12(11)5-6-13(16)23-17/h1-2,4-5,7-10,13,27-28H,3,6,11H2;2*5-10,28H,1-4H2,(H,25,27);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24);5-8H,1-4H2,(H,22,24)(H,25,26)
• InChIKey: GIBZCUIWZGDQAW-UHFFFAOYSA-N
• XLogP: 24.91
• TPSA: 313.01 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1823.87
LogP ≤ 5	24.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?

The IUPAC name of 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol (CID 158021474) is 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol.

What is the SMILES notation for 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?

The canonical SMILES for 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol is Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.FC(F)(F)c1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)n[nH]1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)c1.

What is the InChIKey of 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?

The InChIKey is GIBZCUIWZGDQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O.2C21H16F3N3O.C19H19N5.C18H14F3N5/c23-22(24,25)13-3-6-15-17(11-13)21(12-1-4-14(28)5-2-12)27-19-8-7-18-16(20(15)19)9-10-26-18;2*22-21(23,24)16-9-11(28)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-25-27-17(15)7-8-18(19)26-20;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16;19-18(20,21)15-7-14(25-26-15)17-10-4-2-1-3-9(10)16-11-8-22-24-12(11)5-6-13(16)23-17/h1-2,4-5,7-10,13,27-28H,3,6,11H2;2*5-10,28H,1-4H2,(H,25,27);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24);5-8H,1-4H2,(H,22,24)(H,25,26).

What are the key properties of 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?

1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol has a molecular weight of 1823.87 g/mol, XLogP of 24.91, 5 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol is sourced from PubChem (CID 158021474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).