4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one

C12H16N4O — CID 136989873

IUPAC4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCCc1cc(CC)n(-c2cc(=O)[nH]c(C)n2)n1
InChIInChI=1S/C12H16N4O/c1-4-9-6-10(5-2)16(15-9)11-7-12(17)14-8(3)13-11/h6-7H,4-5H2,1-3H3,(H,13,14,17)
InChIKeyRGTLBYDYZDMQRM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.39
Rot. Bonds3

About 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136989873) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136989873
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCCc1cc(CC)n(-c2cc(=O)[nH]c(C)n2)n1
InChIInChI=1S/C12H16N4O/c1-4-9-6-10(5-2)16(15-9)11-7-12(17)14-8(3)13-11/h6-7H,4-5H2,1-3H3,(H,13,14,17)
InChIKeyRGTLBYDYZDMQRM-UHFFFAOYSA-N
XLogP1.39
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3,5-diethylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 82699252
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
2-[3,5-dimethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 136989640
2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013688
2-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957344
[6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 82693564
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136794221
4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136978409
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid
CID 82693003
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136989873) is 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one is CCc1cc(CC)n(-c2cc(=O)[nH]c(C)n2)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is RGTLBYDYZDMQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-9-6-10(5-2)16(15-9)11-7-12(17)14-8(3)13-11/h6-7H,4-5H2,1-3H3,(H,13,14,17).
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 232.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136989873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).