6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one

C10H12N4O — CID 106515932

IUPAC6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one
SMILESCCn1cc(-c2[nH]c(=O)ncc2C)cn1
InChIInChI=1S/C10H12N4O/c1-3-14-6-8(5-12-14)9-7(2)4-11-10(15)13-9/h4-6H,3H2,1-2H3,(H,11,13,15)
InChIKeyVVFFMIRBARWACL-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.96
Rot. Bonds2

About 6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one

6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one (PubChem CID 106515932) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one
PubChem CID106515932
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one
SMILESCCn1cc(-c2[nH]c(=O)ncc2C)cn1
InChIInChI=1S/C10H12N4O/c1-3-14-6-8(5-12-14)9-7(2)4-11-10(15)13-9/h4-6H,3H2,1-2H3,(H,11,13,15)
InChIKeyVVFFMIRBARWACL-UHFFFAOYSA-N
XLogP0.96
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylpyrazol-4-yl)-1H-pyrazin-2-one
CID 103571127
5-(1-ethylpyrazol-4-yl)-2-methylpyridine
CID 58399288
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
4-(1-ethylpyrazol-4-yl)-2,6-dimethylbenzoic acid
CID 172876924
4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole
CID 19621326
5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 62958306
2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine
CID 141130510
2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 95732712
1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599405
3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one
CID 114763744
1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
CID 67500295
4-(1-ethylpyrazol-4-yl)-1,3-thiazol-5-amine
CID 103570447

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one (CID 106515932) is 6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one is CCn1cc(-c2[nH]c(=O)ncc2C)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one?
The InChIKey is VVFFMIRBARWACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-14-6-8(5-12-14)9-7(2)4-11-10(15)13-9/h4-6H,3H2,1-2H3,(H,11,13,15).
What are the key properties of 6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one?
6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 106515932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).