2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

C18H25N5O2 — CID 16835804

IUPAC2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C18H25N5O2/c1-5-15-14(4)19-18(23-13(3)10-12(2)20-23)22(17(15)25)11-16(24)21-8-6-7-9-21/h10H,5-9,11H2,1-4H3
InChIKeyASMWSYXZCOUGHW-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.54
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 16835804) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID16835804
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C18H25N5O2/c1-5-15-14(4)19-18(23-13(3)10-12(2)20-23)22(17(15)25)11-16(24)21-8-6-7-9-21/h10H,5-9,11H2,1-4H3
InChIKeyASMWSYXZCOUGHW-UHFFFAOYSA-N
XLogP1.54
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 16835804) is 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is ASMWSYXZCOUGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-5-15-14(4)19-18(23-13(3)10-12(2)20-23)22(17(15)25)11-16(24)21-8-6-7-9-21/h10H,5-9,11H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 343.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 16835804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).