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

C13H20N4O3 — CID 122538048

IUPAC6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
SMILESCOCCCn1cc(C2(C)CC(=O)NC(=O)N2C)cn1
InChIInChI=1S/C13H20N4O3/c1-13(7-11(18)15-12(19)16(13)2)10-8-14-17(9-10)5-4-6-20-3/h8-9H,4-7H2,1-3H3,(H,15,18,19)
InChIKeyKWYSHOUWWBQUPB-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.71
Rot. Bonds5

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

6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 122538048) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
PubChem CID122538048
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
SMILESCOCCCn1cc(C2(C)CC(=O)NC(=O)N2C)cn1
InChIInChI=1S/C13H20N4O3/c1-13(7-11(18)15-12(19)16(13)2)10-8-14-17(9-10)5-4-6-20-3/h8-9H,4-7H2,1-3H3,(H,15,18,19)
InChIKeyKWYSHOUWWBQUPB-UHFFFAOYSA-N
XLogP0.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118739348
1-[3-(1-Methylpyrazol-4-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]urea
CID 155951431
6-[1-(2-Methoxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
CID 122538050
6-[1-(2-Hydroxyethyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione
CID 122538065
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
9-[2-(1-Ethylpyrazol-4-yl)ethyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 128356261

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione (CID 122538048) is 6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione is COCCCn1cc(C2(C)CC(=O)NC(=O)N2C)cn1.
What is the InChIKey of 6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is KWYSHOUWWBQUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(7-11(18)15-12(19)16(13)2)10-8-14-17(9-10)5-4-6-20-3/h8-9H,4-7H2,1-3H3,(H,15,18,19).
What are the key properties of 6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione?
6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-methoxypropyl)pyrazol-4-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 122538048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).