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

C11H16N4O2 — CID 64884532

IUPAC3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(Cc2cnn(C)c2)C1=O
InChIInChI=1S/C11H16N4O2/c1-8-11(17)15(4-3-10(16)13-8)7-9-5-12-14(2)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)
InChIKeyQQOCIKWHTCYUGC-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.34
Rot. Bonds2

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

3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 64884532) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
PubChem CID64884532
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(Cc2cnn(C)c2)C1=O
InChIInChI=1S/C11H16N4O2/c1-8-11(17)15(4-3-10(16)13-8)7-9-5-12-14(2)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)
InChIKeyQQOCIKWHTCYUGC-UHFFFAOYSA-N
XLogP-0.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione (CID 64884532) is 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione is CC1NC(=O)CCN(Cc2cnn(C)c2)C1=O.
What is the InChIKey of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is QQOCIKWHTCYUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-11(17)15(4-3-10(16)13-8)7-9-5-12-14(2)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,13,16).
What are the key properties of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64884532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).