3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione

C15H24N4O2 — CID 64881681

IUPAC3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NC(C(C)(C)C)C(=O)N1Cc1cnn(C)c1
InChIInChI=1S/C15H24N4O2/c1-10-6-12(20)17-13(15(2,3)4)14(21)19(10)9-11-7-16-18(5)8-11/h7-8,10,13H,6,9H2,1-5H3,(H,17,20)
InChIKeyARDMMBAOJUFIOX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.07
Rot. Bonds2

About 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione

3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 64881681) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
PubChem CID64881681
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NC(C(C)(C)C)C(=O)N1Cc1cnn(C)c1
InChIInChI=1S/C15H24N4O2/c1-10-6-12(20)17-13(15(2,3)4)14(21)19(10)9-11-7-16-18(5)8-11/h7-8,10,13H,6,9H2,1-5H3,(H,17,20)
InChIKeyARDMMBAOJUFIOX-UHFFFAOYSA-N
XLogP1.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione with MolForge

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Related Compounds

3-tert-butyl-7-methyl-1-(4,4,4-trifluorobutyl)-1,4-diazepane-2,5-dione
CID 115519550
6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64875272
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64884532
3-tert-butyl-6-methyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960560
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-2-one
CID 63258734
3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960512
5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 82507618
(3S)-1-(2-methoxyethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421547
3-butan-2-yl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64878609
5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one
CID 64764987
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione (CID 64881681) is 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione is CC1CC(=O)NC(C(C)(C)C)C(=O)N1Cc1cnn(C)c1.
What is the InChIKey of 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is ARDMMBAOJUFIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-6-12(20)17-13(15(2,3)4)14(21)19(10)9-11-7-16-18(5)8-11/h7-8,10,13H,6,9H2,1-5H3,(H,17,20).
What are the key properties of 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64881681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).