7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one

C19H26N6O2 — CID 24753686

IUPAC7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
SMILESCc1cc(Nc2nn(C(C)C)c(=O)c3cc(OCCN(C)C)ccc23)n[nH]1
InChIInChI=1S/C19H26N6O2/c1-12(2)25-19(26)16-11-14(27-9-8-24(4)5)6-7-15(16)18(23-25)20-17-10-13(3)21-22-17/h6-7,10-12H,8-9H2,1-5H3,(H2,20,21,22,23)
InChIKeyKGSNARVAVMIJIU-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.69
Rot. Bonds7

About 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one

7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one (PubChem CID 24753686) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
PubChem CID24753686
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
SMILESCc1cc(Nc2nn(C(C)C)c(=O)c3cc(OCCN(C)C)ccc23)n[nH]1
InChIInChI=1S/C19H26N6O2/c1-12(2)25-19(26)16-11-14(27-9-8-24(4)5)6-7-15(16)18(23-25)20-17-10-13(3)21-22-17/h6-7,10-12H,8-9H2,1-5H3,(H2,20,21,22,23)
InChIKeyKGSNARVAVMIJIU-UHFFFAOYSA-N
XLogP2.69
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one (CID 24753686) is 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one is Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(OCCN(C)C)ccc23)n[nH]1.
What is the InChIKey of 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The InChIKey is KGSNARVAVMIJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12(2)25-19(26)16-11-14(27-9-8-24(4)5)6-7-15(16)18(23-25)20-17-10-13(3)21-22-17/h6-7,10-12H,8-9H2,1-5H3,(H2,20,21,22,23).
What are the key properties of 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one has a molecular weight of 370.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 24753686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).