6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine

C16H16N4 — CID 145392399

IUPAC6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine
SMILESCNc1cc2cc(-c3cnn(C4CC4)c3)ccc2cn1
InChIInChI=1S/C16H16N4/c1-17-16-7-13-6-11(2-3-12(13)8-18-16)14-9-19-20(10-14)15-4-5-15/h2-3,6-10,15H,4-5H2,1H3,(H,17,18)
InChIKeyNXMAAFXITIPZAE-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.47
Rot. Bonds3

About 6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine

6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine (PubChem CID 145392399) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine.

Molecular Properties

Compound Name6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine
PubChem CID145392399
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine
SMILESCNc1cc2cc(-c3cnn(C4CC4)c3)ccc2cn1
InChIInChI=1S/C16H16N4/c1-17-16-7-13-6-11(2-3-12(13)8-18-16)14-9-19-20(10-14)15-4-5-15/h2-3,6-10,15H,4-5H2,1H3,(H,17,18)
InChIKeyNXMAAFXITIPZAE-UHFFFAOYSA-N
XLogP3.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine?
The IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine (CID 145392399) is 6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine.
What is the SMILES notation for 6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine?
The canonical SMILES for 6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine is CNc1cc2cc(-c3cnn(C4CC4)c3)ccc2cn1.
What is the InChIKey of 6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine?
The InChIKey is NXMAAFXITIPZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-17-16-7-13-6-11(2-3-12(13)8-18-16)14-9-19-20(10-14)15-4-5-15/h2-3,6-10,15H,4-5H2,1H3,(H,17,18).
What are the key properties of 6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine?
6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine has a molecular weight of 264.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine is sourced from PubChem (CID 145392399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).