7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol

C94H79ClF13N25O — CID 158330398

About 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol

7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol (PubChem CID 158330398) has the molecular formula C94H79ClF13N25O and a molecular weight of 1857.27 g/mol. Its IUPAC name is 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol.

Molecular Properties

• Compound Name: 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol
• PubChem CID: 158330398
• Molecular Formula: C94H79ClF13N25O
• Molecular Weight: 1857.27 g/mol
• Exact Mass: 1855.64
• IUPAC Name: 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol
• SMILES: Cc1c2c(ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c32)CCCC4)nn1C.ClCCn1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.Cn1ncc2c3c4c(c(-c5cn[nH]c5C(F)(F)F)nc3ccc21)CCCC4.Fc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3.Oc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3
• InChI: InChI=1S/C20H18F3N5.C19H18ClN5.C19H16F3N5.C18H13F4N5.C18H14F3N5O/c1-10-16-15(27-28(10)2)8-7-14-17(16)11-5-3-4-6-12(11)18(25-14)13-9-24-26-19(13)20(21,22)23;20-7-8-25-11-12(9-22-25)19-14-4-2-1-3-13(14)18-15-10-21-24-16(15)5-6-17(18)23-19;1-27-15-7-6-14-16(12(15)9-24-27)10-4-2-3-5-11(10)17(25-14)13-8-23-26-18(13)19(20,21)22;19-12-5-13-10(6-23-26-13)14-8-3-1-2-4-9(8)15(25-16(12)14)11-7-24-27-17(11)18(20,21)22;19-18(20,21)17-11(7-23-26-17)15-9-4-2-1-3-8(9)14-10-6-22-25-12(10)5-13(27)16(14)24-15/h7-9H,3-6H2,1-2H3,(H,24,26);5-6,9-11H,1-4,7-8H2,(H,21,24);6-9H,2-5H2,1H3,(H,23,26);5-7H,1-4H2,(H,23,26)(H,24,27);5-7,27H,1-4H2,(H,22,25)(H,23,26)
• InChIKey: GPXWVOMFIQZQLW-UHFFFAOYSA-N
• XLogP: 21.86
• TPSA: 338.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1857.27
LogP ≤ 5	21.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol?

The IUPAC name of 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol (CID 158330398) is 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol.

What is the SMILES notation for 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol?

The canonical SMILES for 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol is Cc1c2c(ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c32)CCCC4)nn1C.ClCCn1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.Cn1ncc2c3c4c(c(-c5cn[nH]c5C(F)(F)F)nc3ccc21)CCCC4.Fc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3.Oc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3.

What is the InChIKey of 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol?

The InChIKey is GPXWVOMFIQZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5.C19H18ClN5.C19H16F3N5.C18H13F4N5.C18H14F3N5O/c1-10-16-15(27-28(10)2)8-7-14-17(16)11-5-3-4-6-12(11)18(25-14)13-9-24-26-19(13)20(21,22)23;20-7-8-25-11-12(9-22-25)19-14-4-2-1-3-13(14)18-15-10-21-24-16(15)5-6-17(18)23-19;1-27-15-7-6-14-16(12(15)9-24-27)10-4-2-3-5-11(10)17(25-14)13-8-23-26-18(13)19(20,21)22;19-12-5-13-10(6-23-26-13)14-8-3-1-2-4-9(8)15(25-16(12)14)11-7-24-27-17(11)18(20,21)22;19-18(20,21)17-11(7-23-26-17)15-9-4-2-1-3-8(9)14-10-6-22-25-12(10)5-13(27)16(14)24-15/h7-9H,3-6H2,1-2H3,(H,24,26);5-6,9-11H,1-4,7-8H2,(H,21,24);6-9H,2-5H2,1H3,(H,23,26);5-7H,1-4H2,(H,23,26)(H,24,27);5-7,27H,1-4H2,(H,22,25)(H,23,26).

What are the key properties of 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol?

7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol has a molecular weight of 1857.27 g/mol, XLogP of 21.86, 7 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol is sourced from PubChem (CID 158330398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).