7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

C89H83N25O3 — CID 159270967

IUPAC7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESCOC(=O)c1[nH]ccc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1cc(C)c2c(ccc3[nH]ncc32)n1.Cc1nn(C)cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.OCCn1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.c1n[nH]nc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C20H18N4O2.C19H19N5O.C19H19N5.C16H14N6.C15H13N5/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;1-2-4-10-9(3-1)15-11-7-17-20-12(11)5-6-13(15)19-16(10)14-8-18-22-21-14;1-8-5-14(10-6-16-19-9(10)2)18-13-4-3-12-11(15(8)13)7-17-20-12/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);5-8H,1-4H2,(H,17,20)(H,18,21,22);3-7H,1-2H3,(H,16,19)(H,17,20)
InChIKeyKXSCGIOBKHZNFG-UHFFFAOYSA-N
MW1550.81 g/mol
LogP16.21
Rot. Bonds8

About 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 159270967) has the molecular formula C89H83N25O3 and a molecular weight of 1550.81 g/mol. Its IUPAC name is 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

Compound Name7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
PubChem CID159270967
Molecular FormulaC89H83N25O3
Molecular Weight1550.81 g/mol
Exact Mass1549.71
IUPAC Name7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESCOC(=O)c1[nH]ccc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1cc(C)c2c(ccc3[nH]ncc32)n1.Cc1nn(C)cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.OCCn1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.c1n[nH]nc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C20H18N4O2.C19H19N5O.C19H19N5.C16H14N6.C15H13N5/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;1-2-4-10-9(3-1)15-11-7-17-20-12(11)5-6-13(15)19-16(10)14-8-18-22-21-14;1-8-5-14(10-6-16-19-9(10)2)18-13-4-3-12-11(15(8)13)7-17-20-12/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);5-8H,1-4H2,(H,17,20)(H,18,21,22);3-7H,1-2H3,(H,16,19)(H,17,20)
InChIKeyKXSCGIOBKHZNFG-UHFFFAOYSA-N
XLogP16.21
TPSA376.06 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms117
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001550.81
LogP ≤ 516.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine with MolForge

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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;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The IUPAC name of 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 159270967) is 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.
What is the SMILES notation for 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The canonical SMILES for 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is COC(=O)c1[nH]ccc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1cc(C)c2c(ccc3[nH]ncc32)n1.Cc1nn(C)cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.OCCn1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.c1n[nH]nc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.
What is the InChIKey of 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The InChIKey is KXSCGIOBKHZNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2.C19H19N5O.C19H19N5.C16H14N6.C15H13N5/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;1-2-4-10-9(3-1)15-11-7-17-20-12(11)5-6-13(15)19-16(10)14-8-18-22-21-14;1-8-5-14(10-6-16-19-9(10)2)18-13-4-3-12-11(15(8)13)7-17-20-12/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);5-8H,1-4H2,(H,17,20)(H,18,21,22);3-7H,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
7-(1,3-dimethylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 1550.81 g/mol, XLogP of 16.21, 8 rotatable bonds, 9 hydrogen bond donors, and 20 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;9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;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-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 159270967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).