2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C16H21N5O2 — CID 137049227

IUPAC2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CC(=O)N3CCCC3)c2C)n1
InChIInChI=1S/C16H21N5O2/c1-10-8-14(22)18-16(17-10)21-12(3)13(11(2)19-21)9-15(23)20-6-4-5-7-20/h8H,4-7,9H2,1-3H3,(H,17,18,22)
InChIKeyZYQKFTIOFHUIKV-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.05
Rot. Bonds3

About 2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137049227) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137049227
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CC(=O)N3CCCC3)c2C)n1
InChIInChI=1S/C16H21N5O2/c1-10-8-14(22)18-16(17-10)21-12(3)13(11(2)19-21)9-15(23)20-6-4-5-7-20/h8H,4-7,9H2,1-3H3,(H,17,18,22)
InChIKeyZYQKFTIOFHUIKV-UHFFFAOYSA-N
XLogP1.05
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 162660614
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-isobutylpropanamide
CID 135885916
2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049228
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
N-cyclopentyl-2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 7386738
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 16835804

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137049227) is 2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc(C)c(CC(=O)N3CCCC3)c2C)n1.
What is the InChIKey of 2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZYQKFTIOFHUIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-8-14(22)18-16(17-10)21-12(3)13(11(2)19-21)9-15(23)20-6-4-5-7-20/h8H,4-7,9H2,1-3H3,(H,17,18,22).
What are the key properties of 2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 315.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137049227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).