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

C20H23N5O2 — CID 7588299

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide
SMILESCCCc1cc(=O)n(CC(=O)Nc2ccccc2)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H23N5O2/c1-4-8-17-12-19(27)24(13-18(26)21-16-9-6-5-7-10-16)20(22-17)25-15(3)11-14(2)23-25/h5-7,9-12H,4,8,13H2,1-3H3,(H,21,26)
InChIKeyYRBOOZFOBKSZLB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.64
Rot. Bonds6

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

2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide (PubChem CID 7588299) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide
PubChem CID7588299
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide
SMILESCCCc1cc(=O)n(CC(=O)Nc2ccccc2)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C20H23N5O2/c1-4-8-17-12-19(27)24(13-18(26)21-16-9-6-5-7-10-16)20(22-17)25-15(3)11-14(2)23-25/h5-7,9-12H,4,8,13H2,1-3H3,(H,21,26)
InChIKeyYRBOOZFOBKSZLB-UHFFFAOYSA-N
XLogP2.64
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide (CID 7588299) is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide is CCCc1cc(=O)n(CC(=O)Nc2ccccc2)c(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide?
The InChIKey is YRBOOZFOBKSZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-8-17-12-19(27)24(13-18(26)21-16-9-6-5-7-10-16)20(22-17)25-15(3)11-14(2)23-25/h5-7,9-12H,4,8,13H2,1-3H3,(H,21,26).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-phenylacetamide has a molecular weight of 365.44 g/mol, XLogP of 2.64, 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-phenylacetamide is sourced from PubChem (CID 7588299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).