8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine

C14H14N4 — CID 103139487

IUPAC8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine
SMILESCc1cc(C)n(-c2ccc(N)c3ccncc23)n1
InChIInChI=1S/C14H14N4/c1-9-7-10(2)18(17-9)14-4-3-13(15)11-5-6-16-8-12(11)14/h3-8H,15H2,1-2H3
InChIKeyBSMZORCFKLUCKF-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.62
Rot. Bonds1

About 8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine

8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine (PubChem CID 103139487) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine
PubChem CID103139487
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine
SMILESCc1cc(C)n(-c2ccc(N)c3ccncc23)n1
InChIInChI=1S/C14H14N4/c1-9-7-10(2)18(17-9)14-4-3-13(15)11-5-6-16-8-12(11)14/h3-8H,15H2,1-2H3
InChIKeyBSMZORCFKLUCKF-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

isoquinoline-5,8-diamine;hydrochloride
CID 75525603
4-bromo-2-(3,5-dimethylpyrazol-1-yl)aniline
CID 12746688
6-(3,5-dimethylpyrazol-1-yl)quinolin-5-amine
CID 43809770
5-(2,5-dimethylpyrazol-3-yl)sulfanylisoquinolin-8-amine
CID 62409728
8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine
CID 103137270
1-(5-aminoisoquinolin-8-yl)-1,2,4-triazole-3-carbonitrile
CID 103139530
4-amino-3-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
CID 82898319
8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine
CID 103139285
8-chloroisoquinolin-5-amine
CID 53421157
8-ethylisoquinolin-5-amine
CID 58807103
8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine
CID 103138826
2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol
CID 103137236

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine?
The IUPAC name of 8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine (CID 103139487) is 8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine.
What is the SMILES notation for 8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine?
The canonical SMILES for 8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine is Cc1cc(C)n(-c2ccc(N)c3ccncc23)n1.
What is the InChIKey of 8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine?
The InChIKey is BSMZORCFKLUCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-7-10(2)18(17-9)14-4-3-13(15)11-5-6-16-8-12(11)14/h3-8H,15H2,1-2H3.
What are the key properties of 8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine?
8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine has a molecular weight of 238.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethylpyrazol-1-yl)isoquinolin-5-amine is sourced from PubChem (CID 103139487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).