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

C18H23N5O3 — CID 24753585

IUPAC7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
SMILESCOCCOc1ccc2c(Nc3cc(C)[nH]n3)nn(C(C)C)c(=O)c2c1
InChIInChI=1S/C18H23N5O3/c1-11(2)23-18(24)15-10-13(26-8-7-25-4)5-6-14(15)17(22-23)19-16-9-12(3)20-21-16/h5-6,9-11H,7-8H2,1-4H3,(H2,19,20,21,22)
InChIKeyBDISOSDIUPFTJJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.78
Rot. Bonds7

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

7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one (PubChem CID 24753585) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
PubChem CID24753585
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
SMILESCOCCOc1ccc2c(Nc3cc(C)[nH]n3)nn(C(C)C)c(=O)c2c1
InChIInChI=1S/C18H23N5O3/c1-11(2)23-18(24)15-10-13(26-8-7-25-4)5-6-14(15)17(22-23)19-16-9-12(3)20-21-16/h5-6,9-11H,7-8H2,1-4H3,(H2,19,20,21,22)
InChIKeyBDISOSDIUPFTJJ-UHFFFAOYSA-N
XLogP2.78
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 5330980
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2-[2-(4-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11501979
2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
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2-(3-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11617466
2-(4-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11639104
4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethoxy)-2-propan-2-ylphthalazin-1-one
CID 11668744
2-[2-(3-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 21106464
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155534710
3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 35532110
N-(5-methyl-1H-pyrazol-3-yl)-3-phenoxybenzamide
CID 2360970
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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one (CID 24753585) is 7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one is COCCOc1ccc2c(Nc3cc(C)[nH]n3)nn(C(C)C)c(=O)c2c1.
What is the InChIKey of 7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The InChIKey is BDISOSDIUPFTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11(2)23-18(24)15-10-13(26-8-7-25-4)5-6-14(15)17(22-23)19-16-9-12(3)20-21-16/h5-6,9-11H,7-8H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one has a molecular weight of 357.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 24753585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).