3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione

C15H24N4O2 — CID 64881935

IUPAC3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CC(C)N(CCn2cccn2)C1=O
InChIInChI=1S/C15H24N4O2/c1-4-15(5-2)14(21)19(12(3)11-13(20)17-15)10-9-18-8-6-7-16-18/h6-8,12H,4-5,9-11H2,1-3H3,(H,17,20)
InChIKeyONRSZAWLWQKQFP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.18
Rot. Bonds5

About 3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione

3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione (PubChem CID 64881935) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione
PubChem CID64881935
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CC(C)N(CCn2cccn2)C1=O
InChIInChI=1S/C15H24N4O2/c1-4-15(5-2)14(21)19(12(3)11-13(20)17-15)10-9-18-8-6-7-16-18/h6-8,12H,4-5,9-11H2,1-3H3,(H,17,20)
InChIKeyONRSZAWLWQKQFP-UHFFFAOYSA-N
XLogP1.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-diethyl-7-methyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
CID 83169004
3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
CID 82934853
3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64885382
3,3,7-trimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 114532522
3,3,7-trimethyl-1-(pyridin-4-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882035
3,3-diethyl-6-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64884819
1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64874237
1-hexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883585
3,3,7-trimethyl-1-nonyl-1,4-diazepane-2,5-dione
CID 64884576
3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64873297
3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
CID 83168869
3-ethyl-3,7-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 115982597

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione (CID 64881935) is 3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione is CCC1(CC)NC(=O)CC(C)N(CCn2cccn2)C1=O.
What is the InChIKey of 3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione?
The InChIKey is ONRSZAWLWQKQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-15(5-2)14(21)19(12(3)11-13(20)17-15)10-9-18-8-6-7-16-18/h6-8,12H,4-5,9-11H2,1-3H3,(H,17,20).
What are the key properties of 3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione?
3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64881935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).