N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C19H23N5O2 — CID 146148048

IUPACN-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H23N5O2/c1-13(2)10-24(12-14-9-20-23(3)11-14)18(25)8-17-15-6-4-5-7-16(15)19(26)22-21-17/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,22,26)
InChIKeyFFJJYDSGAWVRTM-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.88
Rot. Bonds6

About N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 146148048) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID146148048
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H23N5O2/c1-13(2)10-24(12-14-9-20-23(3)11-14)18(25)8-17-15-6-4-5-7-16(15)19(26)22-21-17/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,22,26)
InChIKeyFFJJYDSGAWVRTM-UHFFFAOYSA-N
XLogP1.88
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 166184628
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N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 166201758
2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 124752517
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789921
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CID 110245433
4-(2-methylpropyl)-2H-phthalazin-1-one
CID 10035755
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
1-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
CID 126433746
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17401113
(2R)-2-imidazol-1-yl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 126451829
1-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 119071914

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 146148048) is N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CC(C)CN(Cc1cnn(C)c1)C(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is FFJJYDSGAWVRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(2)10-24(12-14-9-20-23(3)11-14)18(25)8-17-15-6-4-5-7-16(15)19(26)22-21-17/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,22,26).
What are the key properties of N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 146148048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).