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

C16H23N5O3 — CID 137249777

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C16H23N5O3/c1-10-9-15(23)19-16(18-10)21-12(3)13(11(2)20-21)5-6-14(22)17-7-8-24-4/h9H,5-8H2,1-4H3,(H,17,22)(H,18,19,23)
InChIKeySXGYFZICCQJGRA-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.58
Rot. Bonds7

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

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 137249777) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID137249777
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C16H23N5O3/c1-10-9-15(23)19-16(18-10)21-12(3)13(11(2)20-21)5-6-14(22)17-7-8-24-4/h9H,5-8H2,1-4H3,(H,17,22)(H,18,19,23)
InChIKeySXGYFZICCQJGRA-UHFFFAOYSA-N
XLogP0.58
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide (CID 137249777) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is SXGYFZICCQJGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10-9-15(23)19-16(18-10)21-12(3)13(11(2)20-21)5-6-14(22)17-7-8-24-4/h9H,5-8H2,1-4H3,(H,17,22)(H,18,19,23).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 137249777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).