[1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine

C15H15ClN4 — CID 106777098

IUPAC[1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine
SMILESCc1nn(-c2ncc(CN)c3ccccc23)c(C)c1Cl
InChIInChI=1S/C15H15ClN4/c1-9-14(16)10(2)20(19-9)15-13-6-4-3-5-12(13)11(7-17)8-18-15/h3-6,8H,7,17H2,1-2H3
InChIKeyHRHIEZTXIHXPQZ-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.15
Rot. Bonds2

About [1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine

[1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine (PubChem CID 106777098) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is [1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine
PubChem CID106777098
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name[1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine
SMILESCc1nn(-c2ncc(CN)c3ccccc23)c(C)c1Cl
InChIInChI=1S/C15H15ClN4/c1-9-14(16)10(2)20(19-9)15-13-6-4-3-5-12(13)11(7-17)8-18-15/h3-6,8H,7,17H2,1-2H3
InChIKeyHRHIEZTXIHXPQZ-UHFFFAOYSA-N
XLogP3.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine?
The IUPAC name of [1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine (CID 106777098) is [1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine?
The canonical SMILES for [1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine is Cc1nn(-c2ncc(CN)c3ccccc23)c(C)c1Cl.
What is the InChIKey of [1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine?
The InChIKey is HRHIEZTXIHXPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-9-14(16)10(2)20(19-9)15-13-6-4-3-5-12(13)11(7-17)8-18-15/h3-6,8H,7,17H2,1-2H3.
What are the key properties of [1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine?
[1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine has a molecular weight of 286.77 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).