7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C23H22N4O2 — CID 166304765

IUPAC7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2cc(-c3ccnn3C3CCOCC3)ccc2N1
InChIInChI=1S/C23H22N4O2/c28-22-15-24-23(16-4-2-1-3-5-16)19-14-17(6-7-20(19)26-22)21-8-11-25-27(21)18-9-12-29-13-10-18/h1-8,11,14,18H,9-10,12-13,15H2,(H,26,28)
InChIKeyDJNXVXFTSRGWOG-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.69
Rot. Bonds3

About 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 166304765) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID166304765
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2cc(-c3ccnn3C3CCOCC3)ccc2N1
InChIInChI=1S/C23H22N4O2/c28-22-15-24-23(16-4-2-1-3-5-16)19-14-17(6-7-20(19)26-22)21-8-11-25-27(21)18-9-12-29-13-10-18/h1-8,11,14,18H,9-10,12-13,15H2,(H,26,28)
InChIKeyDJNXVXFTSRGWOG-UHFFFAOYSA-N
XLogP3.69
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713
7-(6-chloro-3-pyridinyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 167814327
7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 4506
Nitrazepam sodium
CID 176507617
7-fluoro-5-(4-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 161006111
7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 161069194
9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 138736880
6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 24788422
1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine
CID 21219154
7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 170330084
7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23275338

Frequently Asked Questions

What is the IUPAC name of 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 166304765) is 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2)c2cc(-c3ccnn3C3CCOCC3)ccc2N1.
What is the InChIKey of 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is DJNXVXFTSRGWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-22-15-24-23(16-4-2-1-3-5-16)19-14-17(6-7-20(19)26-22)21-8-11-25-27(21)18-9-12-29-13-10-18/h1-8,11,14,18H,9-10,12-13,15H2,(H,26,28).
What are the key properties of 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 386.46 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(oxan-4-yl)pyrazol-3-yl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 166304765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).