3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C15H16N4O2 — CID 65365842

IUPAC3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC1C(=O)Nc2ccccc2CN1C(=O)c1cnn(C)c1
InChIInChI=1S/C15H16N4O2/c1-10-14(20)17-13-6-4-3-5-11(13)9-19(10)15(21)12-7-16-18(2)8-12/h3-8,10H,9H2,1-2H3,(H,17,20)
InChIKeyHFMKYLLLHCZHIR-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.40
Rot. Bonds1

About 3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 65365842) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID65365842
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC1C(=O)Nc2ccccc2CN1C(=O)c1cnn(C)c1
InChIInChI=1S/C15H16N4O2/c1-10-14(20)17-13-6-4-3-5-11(13)9-19(10)15(21)12-7-16-18(2)8-12/h3-8,10H,9H2,1-2H3,(H,17,20)
InChIKeyHFMKYLLLHCZHIR-UHFFFAOYSA-N
XLogP1.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropanecarbonyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365388
4-(5-chlorothiophene-2-carbonyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365287
4-(cyclohexanecarbonyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365938
3-methyl-4-(3-methylfuran-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365179
4-(1-benzylindole-5-carbonyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 166331649
4-hexa-2,4-dienoyl-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 77066528
3-methyl-4-(thiane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 80595640
3-methyl-2-oxo-N-[1-(4-pyridin-4-ylphenyl)ethyl]-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 154849700
3-methyl-4-(2-methylpentanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365688
3-methyl-4-(2-propan-2-yloxyacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 115949461
(3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163293110
3-methyl-4-(2-methylthiolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 81453142

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 65365842) is 3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CC1C(=O)Nc2ccccc2CN1C(=O)c1cnn(C)c1.
What is the InChIKey of 3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is HFMKYLLLHCZHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-14(20)17-13-6-4-3-5-11(13)9-19(10)15(21)12-7-16-18(2)8-12/h3-8,10H,9H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 284.32 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpyrazole-4-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 65365842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).