1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione

C10H12N4O3 — CID 112599405

IUPAC1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCCn1cc(-n2c(O)c(C)c(=O)[nH]c2=O)cn1
InChIInChI=1S/C10H12N4O3/c1-3-13-5-7(4-11-13)14-9(16)6(2)8(15)12-10(14)17/h4-5,16H,3H2,1-2H3,(H,12,15,17)
InChIKeyULKDCBIZQXZNPF-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.24
Rot. Bonds2

About 1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione

1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112599405) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112599405
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCCn1cc(-n2c(O)c(C)c(=O)[nH]c2=O)cn1
InChIInChI=1S/C10H12N4O3/c1-3-13-5-7(4-11-13)14-9(16)6(2)8(15)12-10(14)17/h4-5,16H,3H2,1-2H3,(H,12,15,17)
InChIKeyULKDCBIZQXZNPF-UHFFFAOYSA-N
XLogP-0.24
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione
CID 112599407
3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one
CID 103125244
1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598309
6-hydroxy-5-methyl-1-naphthalen-2-ylpyrimidine-2,4-dione
CID 115947092
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one
CID 106515932
1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
CID 64955046
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid
CID 107409443
1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193
methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate
CID 103544795
5,5-diethyl-1-(1-ethylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione
CID 115946872

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112599405) is 1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione is CCn1cc(-n2c(O)c(C)c(=O)[nH]c2=O)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is ULKDCBIZQXZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-3-13-5-7(4-11-13)14-9(16)6(2)8(15)12-10(14)17/h4-5,16H,3H2,1-2H3,(H,12,15,17).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 236.23 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112599405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).