3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide

C15H15N5O3 — CID 37246021

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)n1
InChIInChI=1S/C15H15N5O3/c1-19-8-6-12(17-19)16-13(21)7-9-20-15(23)11-5-3-2-4-10(11)14(22)18-20/h2-6,8H,7,9H2,1H3,(H,18,22)(H,16,17,21)
InChIKeyANKWXEIRMNUUBM-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.45
Rot. Bonds4

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 37246021) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID37246021
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)n1
InChIInChI=1S/C15H15N5O3/c1-19-8-6-12(17-19)16-13(21)7-9-20-15(23)11-5-3-2-4-10(11)14(22)18-20/h2-6,8H,7,9H2,1H3,(H,18,22)(H,16,17,21)
InChIKeyANKWXEIRMNUUBM-UHFFFAOYSA-N
XLogP0.45
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 78804551
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 36544756
N-(3,5-difluorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 24530023
N-benzhydryl-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 27844708
N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 112773070
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 40723461
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527
N-[(2S)-butan-2-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 32684521
(2R)-2-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]propanoic acid
CID 119243859
N-(2,3-dichlorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 51195189
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 40723465
methyl 4-(1,4-dioxo-3H-phthalazin-2-yl)butanoate
CID 43378338

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide (CID 37246021) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)n1.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is ANKWXEIRMNUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-19-8-6-12(17-19)16-13(21)7-9-20-15(23)11-5-3-2-4-10(11)14(22)18-20/h2-6,8H,7,9H2,1H3,(H,18,22)(H,16,17,21).
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 313.32 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 37246021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).