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

C15H16N4O2 — CID 79906757

IUPAC3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCC1NC(=O)c2ccccc2N(Cc2cnn(C)c2)C1=O
InChIInChI=1S/C15H16N4O2/c1-10-15(21)19(9-11-7-16-18(2)8-11)13-6-4-3-5-12(13)14(20)17-10/h3-8,10H,9H2,1-2H3,(H,17,20)
InChIKeyQPQRCHAZGFMZNP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.09
Rot. Bonds2

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

3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 79906757) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID79906757
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCC1NC(=O)c2ccccc2N(Cc2cnn(C)c2)C1=O
InChIInChI=1S/C15H16N4O2/c1-10-15(21)19(9-11-7-16-18(2)8-11)13-6-4-3-5-12(13)14(20)17-10/h3-8,10H,9H2,1-2H3,(H,17,20)
InChIKeyQPQRCHAZGFMZNP-UHFFFAOYSA-N
XLogP1.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-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]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 79906757) is 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CC1NC(=O)c2ccccc2N(Cc2cnn(C)c2)C1=O.
What is the InChIKey of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is QPQRCHAZGFMZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-15(21)19(9-11-7-16-18(2)8-11)13-6-4-3-5-12(13)14(20)17-10/h3-8,10H,9H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 1.09, 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]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 79906757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).