benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride

C86H95ClF4N24O2 — CID 163797732

About benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride

benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride (PubChem CID 163797732) has the molecular formula C86H95ClF4N24O2 and a molecular weight of 1608.32 g/mol. Its IUPAC name is benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride.

Molecular Properties

• Compound Name: benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride
• PubChem CID: 163797732
• Molecular Formula: C86H95ClF4N24O2
• Molecular Weight: 1608.32 g/mol
• Exact Mass: 1606.77
• IUPAC Name: benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride
• SMILES: Cc1[nH]ncc1-c1nc2c(c3c1CCCC3)C1C(N3CCOCC3)=NNC1C=C2.Cc1[nH]ncc1C1C=C(O)C2=C(C=CC3NN=CC23)N1.Cc1[nH]ncc1C1NC2=C(C3=C1CCCC3)C1C(C#CCN)=NNC1C=C2.Cc1[nH]ncc1C1Nc2ccc3[nH]nc(-c4cc(C(F)(F)F)nn4C)c3c2C2=C1CCCC2.Cl.F.c1ccccc1
• InChI: InChI=1S/C23H22F3N7.C22H26N6O.C21H24N6.C14H15N5O.C6H6.ClH.FH/c1-11-14(10-27-29-11)21-13-6-4-3-5-12(13)19-15(28-21)7-8-16-20(19)22(31-30-16)17-9-18(23(24,25)26)32-33(17)2;1-13-16(12-23-25-13)21-15-5-3-2-4-14(15)19-17(24-21)6-7-18-20(19)22(27-26-18)28-8-10-29-11-9-28;1-12-15(11-23-25-12)21-14-6-3-2-5-13(14)19-16(24-21)8-9-18-20(19)17(26-27-18)7-4-10-22;1-7-8(5-15-18-7)12-4-13(20)14-9-6-16-19-10(9)2-3-11(14)17-12;1-2-4-6-5-3-1;;/h7-10,21,28H,3-6H2,1-2H3,(H,27,29)(H,30,31);6-7,12,18,20,26H,2-5,8-11H2,1H3,(H,23,25);8-9,11,18,20-21,24,27H,2-3,5-6,10,22H2,1H3,(H,23,25);2-6,9-10,12,17,19-20H,1H3,(H,15,18);1-6H;2*1H
• InChIKey: UDORCUPXLIAXNL-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 342.09 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 21
• Rotatable Bonds: 5
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1608.32
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride?

The IUPAC name of benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride (CID 163797732) is benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride.

What is the SMILES notation for benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride?

The canonical SMILES for benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride is Cc1[nH]ncc1-c1nc2c(c3c1CCCC3)C1C(N3CCOCC3)=NNC1C=C2.Cc1[nH]ncc1C1C=C(O)C2=C(C=CC3NN=CC23)N1.Cc1[nH]ncc1C1NC2=C(C3=C1CCCC3)C1C(C#CCN)=NNC1C=C2.Cc1[nH]ncc1C1Nc2ccc3[nH]nc(-c4cc(C(F)(F)F)nn4C)c3c2C2=C1CCCC2.Cl.F.c1ccccc1.

What is the InChIKey of benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride?

The InChIKey is UDORCUPXLIAXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7.C22H26N6O.C21H24N6.C14H15N5O.C6H6.ClH.FH/c1-11-14(10-27-29-11)21-13-6-4-3-5-12(13)19-15(28-21)7-8-16-20(19)22(31-30-16)17-9-18(23(24,25)26)32-33(17)2;1-13-16(12-23-25-13)21-15-5-3-2-4-14(15)19-17(24-21)6-7-18-20(19)22(27-26-18)28-8-10-29-11-9-28;1-12-15(11-23-25-12)21-14-6-3-2-5-13(14)19-16(24-21)8-9-18-20(19)17(26-27-18)7-4-10-22;1-7-8(5-15-18-7)12-4-13(20)14-9-6-16-19-10(9)2-3-11(14)17-12;1-2-4-6-5-3-1;;/h7-10,21,28H,3-6H2,1-2H3,(H,27,29)(H,30,31);6-7,12,18,20,26H,2-5,8-11H2,1H3,(H,23,25);8-9,11,18,20-21,24,27H,2-3,5-6,10,22H2,1H3,(H,23,25);2-6,9-10,12,17,19-20H,1H3,(H,15,18);1-6H;2*1H.

What are the key properties of benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride?

benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride has a molecular weight of 1608.32 g/mol, XLogP of 13.32, 5 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride is sourced from PubChem (CID 163797732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).