6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione

C11H16N4O3 — CID 122538065

IUPAC6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)NC(=O)CC1(C)c1cnn(CCO)c1
InChIInChI=1S/C11H16N4O3/c1-11(5-9(17)13-10(18)14(11)2)8-6-12-15(7-8)3-4-16/h6-7,16H,3-5H2,1-2H3,(H,13,17,18)
InChIKeyMZFSSYQABGYLTL-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.34
Rot. Bonds3

About 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione

6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 122538065) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
PubChem CID122538065
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)NC(=O)CC1(C)c1cnn(CCO)c1
InChIInChI=1S/C11H16N4O3/c1-11(5-9(17)13-10(18)14(11)2)8-6-12-15(7-8)3-4-16/h6-7,16H,3-5H2,1-2H3,(H,13,17,18)
InChIKeyMZFSSYQABGYLTL-UHFFFAOYSA-N
XLogP-0.34
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

US11179399, Example 19
CID 163200021
US11179399, Example 19_1
CID 163200022
US11179399, Example 19_2
CID 163200023
N~1~,N~1~,N~3~-trimethyl-N~3~-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-1,3-piperidinedicarboxamide
CID 72887361
N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 129615684
6-[1-(3-Methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
CID 122538048
6-[1-(2-Methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
CID 122538050
6-Ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione
CID 122538069
6-[1-(3-Hydroxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
CID 122538182
5,5-Dimethyl-6-(1-methylpyrazol-4-yl)-1,3-diazinane-2,4-dione
CID 153679055
1,6-Dimethyl-6-(1-propan-2-ylpyrazol-4-yl)-1,3-diazinane-2,4-dione
CID 153679058
6-[1-(2-Trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione
CID 172697634

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione (CID 122538065) is 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione is CN1C(=O)NC(=O)CC1(C)c1cnn(CCO)c1.
What is the InChIKey of 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is MZFSSYQABGYLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(5-9(17)13-10(18)14(11)2)8-6-12-15(7-8)3-4-16/h6-7,16H,3-5H2,1-2H3,(H,13,17,18).
What are the key properties of 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 122538065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).