1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone

C19H21N5O — CID 155566286

IUPAC1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1CC(=O)N1CCN(c2cncc3ccccc23)CC1
InChIInChI=1S/C19H21N5O/c1-22-16(6-7-21-22)12-19(25)24-10-8-23(9-11-24)18-14-20-13-15-4-2-3-5-17(15)18/h2-7,13-14H,8-12H2,1H3
InChIKeyCRSRDGKUERDTKN-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.86
Rot. Bonds3

About 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone

1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone (PubChem CID 155566286) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone
PubChem CID155566286
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1CC(=O)N1CCN(c2cncc3ccccc23)CC1
InChIInChI=1S/C19H21N5O/c1-22-16(6-7-21-22)12-19(25)24-10-8-23(9-11-24)18-14-20-13-15-4-2-3-5-17(15)18/h2-7,13-14H,8-12H2,1H3
InChIKeyCRSRDGKUERDTKN-UHFFFAOYSA-N
XLogP1.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone (CID 155566286) is 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone is Cn1nccc1CC(=O)N1CCN(c2cncc3ccccc23)CC1.
What is the InChIKey of 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone?
The InChIKey is CRSRDGKUERDTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-22-16(6-7-21-22)12-19(25)24-10-8-23(9-11-24)18-14-20-13-15-4-2-3-5-17(15)18/h2-7,13-14H,8-12H2,1H3.
What are the key properties of 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone?
1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone has a molecular weight of 335.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(2-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 155566286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).