N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine

C19H13F3N4 — CID 23634232

IUPACN-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine
SMILESFC(F)(F)c1ccc(-c2nc(Nc3ccn[nH]3)cc3ccccc23)cc1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)14-7-5-12(6-8-14)18-15-4-2-1-3-13(15)11-17(25-18)24-16-9-10-23-26-16/h1-11H,(H2,23,24,25,26)
InChIKeyFEQODEHZIACDNM-UHFFFAOYSA-N
MW354.34 g/mol
LogP5.39
Rot. Bonds3

About N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine

N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine (PubChem CID 23634232) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine
PubChem CID23634232
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC NameN-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine
SMILESFC(F)(F)c1ccc(-c2nc(Nc3ccn[nH]3)cc3ccccc23)cc1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)14-7-5-12(6-8-14)18-15-4-2-1-3-13(15)11-17(25-18)24-16-9-10-23-26-16/h1-11H,(H2,23,24,25,26)
InChIKeyFEQODEHZIACDNM-UHFFFAOYSA-N
XLogP5.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,4-bis[4-(trifluoromethyl)phenyl]isoquinolin-1-yl]-3,4-bis[4-(trifluoromethyl)phenyl]isoquinoline
CID 169227849
3-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 22503463
5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline
CID 176528078
3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 91442502
3,4-diphenyl-6-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]isoquinoline
CID 138974613
3-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-6-amine
CID 10215490
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
CID 59282523
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline
CID 59470271

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine?
The IUPAC name of N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine (CID 23634232) is N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine?
The canonical SMILES for N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine is FC(F)(F)c1ccc(-c2nc(Nc3ccn[nH]3)cc3ccccc23)cc1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine?
The InChIKey is FEQODEHZIACDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-19(21,22)14-7-5-12(6-8-14)18-15-4-2-1-3-13(15)11-17(25-18)24-16-9-10-23-26-16/h1-11H,(H2,23,24,25,26).
What are the key properties of N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine?
N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine has a molecular weight of 354.34 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine is sourced from PubChem (CID 23634232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).