1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine

C15H15ClN4 — CID 106777182

IUPAC1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(-n2cc(Cl)c(C)n2)c2ccccc12
InChIInChI=1S/C15H15ClN4/c1-10-14(16)9-20(19-10)15-13-6-4-3-5-12(13)11(7-17-2)8-18-15/h3-6,8-9,17H,7H2,1-2H3
InChIKeyGFGPDARXZNRZCX-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine

1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine (PubChem CID 106777182) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
PubChem CID106777182
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(-n2cc(Cl)c(C)n2)c2ccccc12
InChIInChI=1S/C15H15ClN4/c1-10-14(16)9-20(19-10)15-13-6-4-3-5-12(13)11(7-17-2)8-18-15/h3-6,8-9,17H,7H2,1-2H3
InChIKeyGFGPDARXZNRZCX-UHFFFAOYSA-N
XLogP3.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine (CID 106777182) is 1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine is CNCc1cnc(-n2cc(Cl)c(C)n2)c2ccccc12.
What is the InChIKey of 1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
The InChIKey is GFGPDARXZNRZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-14(16)9-20(19-10)15-13-6-4-3-5-12(13)11(7-17-2)8-18-15/h3-6,8-9,17H,7H2,1-2H3.
What are the key properties of 1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine has a molecular weight of 286.77 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106777182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).