1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone

C15H20N4O — CID 115529731

IUPAC1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
SMILESCCC(CC)n1ccc(CC(=O)c2ccnc(C)n2)n1
InChIInChI=1S/C15H20N4O/c1-4-13(5-2)19-9-7-12(18-19)10-15(20)14-6-8-16-11(3)17-14/h6-9,13H,4-5,10H2,1-3H3
InChIKeyCWNLZRSSXLNNHN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.77
Rot. Bonds6

About 1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone

1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone (PubChem CID 115529731) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
PubChem CID115529731
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
SMILESCCC(CC)n1ccc(CC(=O)c2ccnc(C)n2)n1
InChIInChI=1S/C15H20N4O/c1-4-13(5-2)19-9-7-12(18-19)10-15(20)14-6-8-16-11(3)17-14/h6-9,13H,4-5,10H2,1-3H3
InChIKeyCWNLZRSSXLNNHN-UHFFFAOYSA-N
XLogP2.77
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976128
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-4-ylethanone
CID 64783560
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 113329351
1-(4,5-dimethylthiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976174
2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529672
1-(4-fluoro-3-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 64783545
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529670
1-(2-methylpyrimidin-4-yl)butan-1-one
CID 23333315
2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 104799331
1-(2,5-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976211
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 79078114

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone (CID 115529731) is 1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone is CCC(CC)n1ccc(CC(=O)c2ccnc(C)n2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The InChIKey is CWNLZRSSXLNNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-13(5-2)19-9-7-12(18-19)10-15(20)14-6-8-16-11(3)17-14/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 115529731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).