3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione

C12H15ClN4O2 — CID 63800345

IUPAC3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2c(C)nn(C)c2Cl)c1=O
InChIInChI=1S/C12H15ClN4O2/c1-4-16-6-5-10(18)17(12(16)19)7-9-8(2)14-15(3)11(9)13/h5-6H,4,7H2,1-3H3
InChIKeyMLDXXAJHYKWIJM-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.77
Rot. Bonds3

About 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione (PubChem CID 63800345) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
PubChem CID63800345
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2c(C)nn(C)c2Cl)c1=O
InChIInChI=1S/C12H15ClN4O2/c1-4-16-6-5-10(18)17(12(16)19)7-9-8(2)14-15(3)11(9)13/h5-6H,4,7H2,1-3H3
InChIKeyMLDXXAJHYKWIJM-UHFFFAOYSA-N
XLogP0.77
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one
CID 62923563
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one
CID 60796215
5-bromo-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-one
CID 66310710
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 54918458
3-butyl-1-ethylpyrimidine-2,4-dione
CID 63812534
3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 55239205
3-[(4-amino-2-chlorophenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63800485
3-[(3-bromo-2,6-difluorophenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 106269515
3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione
CID 63810772
3-[(5-bromo-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 113455683
1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione
CID 63811359
1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 113470054

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione (CID 63800345) is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione is CCn1ccc(=O)n(Cc2c(C)nn(C)c2Cl)c1=O.
What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is MLDXXAJHYKWIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-4-16-6-5-10(18)17(12(16)19)7-9-8(2)14-15(3)11(9)13/h5-6H,4,7H2,1-3H3.
What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione?
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 282.73 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 63800345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).