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

C15H16N4O2 — CID 79910370

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCc1cc(CN2C(=O)CNC(=O)c3ccccc32)n(C)n1
InChIInChI=1S/C15H16N4O2/c1-10-7-11(18(2)17-10)9-19-13-6-4-3-5-12(13)15(21)16-8-14(19)20/h3-7H,8-9H2,1-2H3,(H,16,21)
InChIKeyBSILJBQWYJAGOL-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.01
Rot. Bonds2

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

1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 79910370) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID79910370
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCc1cc(CN2C(=O)CNC(=O)c3ccccc32)n(C)n1
InChIInChI=1S/C15H16N4O2/c1-10-7-11(18(2)17-10)9-19-13-6-4-3-5-12(13)15(21)16-8-14(19)20/h3-7H,8-9H2,1-2H3,(H,16,21)
InChIKeyBSILJBQWYJAGOL-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione with MolForge

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Related Compounds

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N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pent-4-en-1-yl)-1H-indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 79910370) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is Cc1cc(CN2C(=O)CNC(=O)c3ccccc32)n(C)n1.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is BSILJBQWYJAGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-7-11(18(2)17-10)9-19-13-6-4-3-5-12(13)15(21)16-8-14(19)20/h3-7H,8-9H2,1-2H3,(H,16,21).
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 79910370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).