2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide

C17H25N5O2 — CID 7588394

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCCCc1cc(=O)n(CC(=O)NC(C)C)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H25N5O2/c1-6-7-14-9-16(24)21(10-15(23)18-11(2)3)17(19-14)22-13(5)8-12(4)20-22/h8-9,11H,6-7,10H2,1-5H3,(H,18,23)
InChIKeyYIASPPQVHAILKZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.52
Rot. Bonds6

About 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide

2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 7588394) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide
PubChem CID7588394
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCCCc1cc(=O)n(CC(=O)NC(C)C)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H25N5O2/c1-6-7-14-9-16(24)21(10-15(23)18-11(2)3)17(19-14)22-13(5)8-12(4)20-22/h8-9,11H,6-7,10H2,1-5H3,(H,18,23)
InChIKeyYIASPPQVHAILKZ-UHFFFAOYSA-N
XLogP1.52
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
CID 135449532
2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxo-4-propylpyrimidin-1(6H)-yl)acetamide
CID 7588298
2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxo-4-propylpyrimidin-1(6H)-yl)-N-propylacetamide
CID 7588392
2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxo-4-propylpyrimidin-1(6H)-yl)-N-(2-methoxyethyl)acetamide
CID 7588398
2-[3-[(dimethylamino)methyl]-5-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162662009
2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 7588256
2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxo-4-propylpyrimidin-1(6H)-yl)-N-phenylacetamide
CID 7588299
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-3-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)pyrimidin-4(3H)-one
CID 16835806
2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl)-N-isopropylacetamide
CID 16835823
N-(2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanamide
CID 71790840
N-(3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 135954103
2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-propylpyrimidin
CID 136081020

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide (CID 7588394) is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide is CCCc1cc(=O)n(CC(=O)NC(C)C)c(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is YIASPPQVHAILKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-6-7-14-9-16(24)21(10-15(23)18-11(2)3)17(19-14)22-13(5)8-12(4)20-22/h8-9,11H,6-7,10H2,1-5H3,(H,18,23).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 331.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 7588394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).