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

C17H21N5O2 — CID 21106482

IUPAC7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
SMILESCOCc1ccc2c(Nc3cc(C)[nH]n3)nn(C(C)C)c(=O)c2c1
InChIInChI=1S/C17H21N5O2/c1-10(2)22-17(23)14-8-12(9-24-4)5-6-13(14)16(21-22)18-15-7-11(3)19-20-15/h5-8,10H,9H2,1-4H3,(H2,18,19,20,21)
InChIKeyOWOZPEZKOZDVPB-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.90
Rot. Bonds5

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

7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one (PubChem CID 21106482) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
PubChem CID21106482
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
SMILESCOCc1ccc2c(Nc3cc(C)[nH]n3)nn(C(C)C)c(=O)c2c1
InChIInChI=1S/C17H21N5O2/c1-10(2)22-17(23)14-8-12(9-24-4)5-6-13(14)16(21-22)18-15-7-11(3)19-20-15/h5-8,10H,9H2,1-4H3,(H2,18,19,20,21)
InChIKeyOWOZPEZKOZDVPB-UHFFFAOYSA-N
XLogP2.90
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one (CID 21106482) is 7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one is COCc1ccc2c(Nc3cc(C)[nH]n3)nn(C(C)C)c(=O)c2c1.
What is the InChIKey of 7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The InChIKey is OWOZPEZKOZDVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(2)22-17(23)14-8-12(9-24-4)5-6-13(14)16(21-22)18-15-7-11(3)19-20-15/h5-8,10H,9H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one has a molecular weight of 327.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 21106482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).