N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide

C17H20N6O2 — CID 11688688

IUPACN-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(Nc3cc(C)[nH]n3)nn(C(C)C)c(=O)c2c1
InChIInChI=1S/C17H20N6O2/c1-9(2)23-17(25)14-8-12(18-11(4)24)5-6-13(14)16(22-23)19-15-7-10(3)20-21-15/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22)
InChIKeyYKCWYEMWIOREMN-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.71
Rot. Bonds4

About N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide

N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide (PubChem CID 11688688) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide
PubChem CID11688688
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(Nc3cc(C)[nH]n3)nn(C(C)C)c(=O)c2c1
InChIInChI=1S/C17H20N6O2/c1-9(2)23-17(25)14-8-12(18-11(4)24)5-6-13(14)16(22-23)19-15-7-10(3)20-21-15/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22)
InChIKeyYKCWYEMWIOREMN-UHFFFAOYSA-N
XLogP2.71
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide?
The IUPAC name of N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide (CID 11688688) is N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide.
What is the SMILES notation for N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide?
The canonical SMILES for N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide is CC(=O)Nc1ccc2c(Nc3cc(C)[nH]n3)nn(C(C)C)c(=O)c2c1.
What is the InChIKey of N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide?
The InChIKey is YKCWYEMWIOREMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-9(2)23-17(25)14-8-12(18-11(4)24)5-6-13(14)16(22-23)19-15-7-10(3)20-21-15/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22).
What are the key properties of N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide?
N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide has a molecular weight of 340.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3-propan-2-ylphthalazin-6-yl]acetamide is sourced from PubChem (CID 11688688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).