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

C92H86Br2FN25O — CID 159595620

IUPAC4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol
SMILESCc1[nH]ncc1-c1nc2c(Br)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(O)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2cc(Br)c3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3nn(C)c(C)c3c2c2c1CCCC2
InChIInChI=1S/C20H21N5.2C18H16BrN5.C18H16FN5.C18H17N5O/c1-11-15(10-21-23-11)20-14-7-5-4-6-13(14)19-16(22-20)8-9-17-18(19)12(2)25(3)24-17;1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-18(13)14(19)6-15(16)22-17;2*1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-15(13)6-14(19)18(16)22-17;1-9-12(7-19-22-9)17-11-5-3-2-4-10(11)16-13-8-20-23-14(13)6-15(24)18(16)21-17/h8-10H,4-7H2,1-3H3,(H,21,23);3*6-8H,2-5H2,1H3,(H,20,23)(H,21,24);6-8,24H,2-5H2,1H3,(H,19,22)(H,20,23)
InChIKeyMKULGHADFBXLRE-UHFFFAOYSA-N
MW1736.68 g/mol
LogP20.13
Rot. Bonds5

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

4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol (PubChem CID 159595620) has the molecular formula C92H86Br2FN25O and a molecular weight of 1736.68 g/mol. Its IUPAC name is 4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol.

Molecular Properties

Compound Name4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol
PubChem CID159595620
Molecular FormulaC92H86Br2FN25O
Molecular Weight1736.68 g/mol
Exact Mass1733.58
IUPAC Name4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol
SMILESCc1[nH]ncc1-c1nc2c(Br)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(O)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2cc(Br)c3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3nn(C)c(C)c3c2c2c1CCCC2
InChIInChI=1S/C20H21N5.2C18H16BrN5.C18H16FN5.C18H17N5O/c1-11-15(10-21-23-11)20-14-7-5-4-6-13(14)19-16(22-20)8-9-17-18(19)12(2)25(3)24-17;1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-18(13)14(19)6-15(16)22-17;2*1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-15(13)6-14(19)18(16)22-17;1-9-12(7-19-22-9)17-11-5-3-2-4-10(11)16-13-8-20-23-14(13)6-15(24)18(16)21-17/h8-10H,4-7H2,1-3H3,(H,21,23);3*6-8H,2-5H2,1H3,(H,20,23)(H,21,24);6-8,24H,2-5H2,1H3,(H,19,22)(H,20,23)
InChIKeyMKULGHADFBXLRE-UHFFFAOYSA-N
XLogP20.13
TPSA360.62 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001736.68
LogP ≤ 520.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

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

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Launch Full Analysis

Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol?
The IUPAC name of 4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol (CID 159595620) is 4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol.
What is the SMILES notation for 4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol?
The canonical SMILES for 4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol is Cc1[nH]ncc1-c1nc2c(Br)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(O)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2cc(Br)c3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3nn(C)c(C)c3c2c2c1CCCC2.
What is the InChIKey of 4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol?
The InChIKey is MKULGHADFBXLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5.2C18H16BrN5.C18H16FN5.C18H17N5O/c1-11-15(10-21-23-11)20-14-7-5-4-6-13(14)19-16(22-20)8-9-17-18(19)12(2)25(3)24-17;1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-18(13)14(19)6-15(16)22-17;2*1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-15(13)6-14(19)18(16)22-17;1-9-12(7-19-22-9)17-11-5-3-2-4-10(11)16-13-8-20-23-14(13)6-15(24)18(16)21-17/h8-10H,4-7H2,1-3H3,(H,21,23);3*6-8H,2-5H2,1H3,(H,20,23)(H,21,24);6-8,24H,2-5H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol?
4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol has a molecular weight of 1736.68 g/mol, XLogP of 20.13, 5 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol is sourced from PubChem (CID 159595620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).