4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

C92H71Br2ClF15N25 — CID 162129046

IUPAC4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESCc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3.Cc1cc2nc(-c3cn[nH]c3C(F)(F)F)c3c(c2c2cn[nH]c12)CCCC3.FC(F)(F)c1[nH]ncc1-c1nc2c(Br)cc3[nH]ncc3c2c2c1CCCC2.FC(F)(F)c1[nH]ncc1-c1nc2c(Cl)cc3[nH]ncc3c2c2c1CCCC2.FC(F)(F)c1[nH]ncc1-c1nc2cc(Br)c3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/2C19H16F3N5.2C18H13BrF3N5.C18H13ClF3N5/c1-9-6-14-15(12-7-23-26-16(9)12)10-4-2-3-5-11(10)17(25-14)13-8-24-27-18(13)19(20,21)22;1-9-6-14-12(7-23-26-14)15-10-4-2-3-5-11(10)17(25-16(9)15)13-8-24-27-18(13)19(20,21)22;19-12-5-13-14(10-6-23-26-16(10)12)8-3-1-2-4-9(8)15(25-13)11-7-24-27-17(11)18(20,21)22;2*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/h2*6-8H,2-5H2,1H3,(H,23,26)(H,24,27);3*5-7H,1-4H2,(H,23,26)(H,24,27)
InChIKeyZIKPZHLGKIMTSW-UHFFFAOYSA-N
MW2006.99 g/mol
LogP24.79
Rot. Bonds5

About 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 162129046) has the molecular formula C92H71Br2ClF15N25 and a molecular weight of 2006.99 g/mol. Its IUPAC name is 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

Compound Name4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
PubChem CID162129046
Molecular FormulaC92H71Br2ClF15N25
Molecular Weight2006.99 g/mol
Exact Mass2003.41
IUPAC Name4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESCc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3.Cc1cc2nc(-c3cn[nH]c3C(F)(F)F)c3c(c2c2cn[nH]c12)CCCC3.FC(F)(F)c1[nH]ncc1-c1nc2c(Br)cc3[nH]ncc3c2c2c1CCCC2.FC(F)(F)c1[nH]ncc1-c1nc2c(Cl)cc3[nH]ncc3c2c2c1CCCC2.FC(F)(F)c1[nH]ncc1-c1nc2cc(Br)c3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/2C19H16F3N5.2C18H13BrF3N5.C18H13ClF3N5/c1-9-6-14-15(12-7-23-26-16(9)12)10-4-2-3-5-11(10)17(25-14)13-8-24-27-18(13)19(20,21)22;1-9-6-14-12(7-23-26-14)15-10-4-2-3-5-11(10)17(25-16(9)15)13-8-24-27-18(13)19(20,21)22;19-12-5-13-14(10-6-23-26-16(10)12)8-3-1-2-4-9(8)15(25-13)11-7-24-27-17(11)18(20,21)22;2*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/h2*6-8H,2-5H2,1H3,(H,23,26)(H,24,27);3*5-7H,1-4H2,(H,23,26)(H,24,27)
InChIKeyZIKPZHLGKIMTSW-UHFFFAOYSA-N
XLogP24.79
TPSA351.25 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002006.99
LogP ≤ 524.79
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine with MolForge

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Related Compounds

8-bromo-6-N-[(S)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-(2,3-dihydro-1H-indol-4-yl)methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(3-methyl-2H-indazol-4-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;6-[[(S)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-(2,3-dihydro-1H-indol-4-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(1-methylindazol-7-yl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile
CID 159070364
8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;8-chloro-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-methylquinoline;2-(7-fluoro-6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline;8-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 157903753
8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;2-(6-fluoro-7-methyl-1H-indol-3-yl)-7-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);7-methyl-2-(7-methyl-1H-indol-3-yl)quinoline;7-methyl-3-pyridin-3-yl-1H-indole;3-naphthalen-2-yl-1H-indazole
CID 159373915
5-chloro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 161895529

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The IUPAC name of 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 162129046) is 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.
What is the SMILES notation for 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The canonical SMILES for 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is Cc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3.Cc1cc2nc(-c3cn[nH]c3C(F)(F)F)c3c(c2c2cn[nH]c12)CCCC3.FC(F)(F)c1[nH]ncc1-c1nc2c(Br)cc3[nH]ncc3c2c2c1CCCC2.FC(F)(F)c1[nH]ncc1-c1nc2c(Cl)cc3[nH]ncc3c2c2c1CCCC2.FC(F)(F)c1[nH]ncc1-c1nc2cc(Br)c3[nH]ncc3c2c2c1CCCC2.
What is the InChIKey of 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The InChIKey is ZIKPZHLGKIMTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16F3N5.2C18H13BrF3N5.C18H13ClF3N5/c1-9-6-14-15(12-7-23-26-16(9)12)10-4-2-3-5-11(10)17(25-14)13-8-24-27-18(13)19(20,21)22;1-9-6-14-12(7-23-26-14)15-10-4-2-3-5-11(10)17(25-16(9)15)13-8-24-27-18(13)19(20,21)22;19-12-5-13-14(10-6-23-26-16(10)12)8-3-1-2-4-9(8)15(25-13)11-7-24-27-17(11)18(20,21)22;2*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/h2*6-8H,2-5H2,1H3,(H,23,26)(H,24,27);3*5-7H,1-4H2,(H,23,26)(H,24,27).
What are the key properties of 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 2006.99 g/mol, XLogP of 24.79, 5 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-bromo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-chloro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 162129046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).