3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide

C17H25N5O3 — CID 135892780

IUPAC3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(=O)[nH]2)c1C
InChIInChI=1S/C17H25N5O3/c1-10-11(2)19-17(20-16(10)24)22-13(4)14(12(3)21-22)6-7-15(23)18-8-9-25-5/h6-9H2,1-5H3,(H,18,23)(H,19,20,24)
InChIKeyNRIUWMWIEKPQHM-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.88
Rot. Bonds7

About 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide

3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 135892780) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID135892780
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(=O)[nH]2)c1C
InChIInChI=1S/C17H25N5O3/c1-10-11(2)19-17(20-16(10)24)22-13(4)14(12(3)21-22)6-7-15(23)18-8-9-25-5/h6-9H2,1-5H3,(H,18,23)(H,19,20,24)
InChIKeyNRIUWMWIEKPQHM-UHFFFAOYSA-N
XLogP0.88
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-4-(3-oxo-3-(pyrrolidin-1-yl)propyl)-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 136253211
2-[3,5-dimethyl-4-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 136253209
2-(3,5-dimethyl-4-(3-(2-methylpiperidin-1-yl)-3-oxopropyl)-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 136253210
N-cyclopentyl-3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 137095027
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-isobutylpropanamide
CID 135885916
methyl 1-(3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)propanoyl)piperidine-4-carboxylate
CID 135885877
2-(3,5-dimethyl-4-(3-(4-methylpiperazin-1-yl)-3-oxopropyl)-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135885879
2-(4-(3-(4-acetylpiperazin-1-yl)-3-oxopropyl)-3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135885911
N-cyclopentyl3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-4-pyrazolyl]propionamide
CID 136952221
ethyl 1-(3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)propanoyl)piperidine-4-carboxylate
CID 135885876
2-(3,5-dimethyl-4-(3-morpholino-3-oxopropyl)-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135885878
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(2-morpholinoethyl)propanamide
CID 135885884

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide (CID 135892780) is 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(=O)[nH]2)c1C.
What is the InChIKey of 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is NRIUWMWIEKPQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-10-11(2)19-17(20-16(10)24)22-13(4)14(12(3)21-22)6-7-15(23)18-8-9-25-5/h6-9H2,1-5H3,(H,18,23)(H,19,20,24).
What are the key properties of 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 135892780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).