5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione

C12H15ClN4O2 — CID 66425177

IUPAC5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1cc(Cn2cc(Cl)c(=O)[nH]c2=O)n(CC)n1
InChIInChI=1S/C12H15ClN4O2/c1-3-8-5-9(17(4-2)15-8)6-16-7-10(13)11(18)14-12(16)19/h5,7H,3-4,6H2,1-2H3,(H,14,18,19)
InChIKeyWWHIHKWVBGOEHF-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.02
Rot. Bonds4

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

5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66425177) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID66425177
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1cc(Cn2cc(Cl)c(=O)[nH]c2=O)n(CC)n1
InChIInChI=1S/C12H15ClN4O2/c1-3-8-5-9(17(4-2)15-8)6-16-7-10(13)11(18)14-12(16)19/h5,7H,3-4,6H2,1-2H3,(H,14,18,19)
InChIKeyWWHIHKWVBGOEHF-UHFFFAOYSA-N
XLogP1.02
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione (CID 66425177) is 5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione is CCc1cc(Cn2cc(Cl)c(=O)[nH]c2=O)n(CC)n1.
What is the InChIKey of 5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is WWHIHKWVBGOEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-3-8-5-9(17(4-2)15-8)6-16-7-10(13)11(18)14-12(16)19/h5,7H,3-4,6H2,1-2H3,(H,14,18,19).
What are the key properties of 5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione?
5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 282.73 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66425177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).