3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one

C15H16N4O — CID 136504171

IUPAC3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
SMILESCCc1nn(C)c2c1C(c1ccccc1)=NCC(=O)N2
InChIInChI=1S/C15H16N4O/c1-3-11-13-14(10-7-5-4-6-8-10)16-9-12(20)17-15(13)19(2)18-11/h4-8H,3,9H2,1-2H3,(H,17,20)
InChIKeyUIODXYDSJPKPBC-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.77
Rot. Bonds2

About 3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one

3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one (PubChem CID 136504171) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
PubChem CID136504171
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
SMILESCCc1nn(C)c2c1C(c1ccccc1)=NCC(=O)N2
InChIInChI=1S/C15H16N4O/c1-3-11-13-14(10-7-5-4-6-8-10)16-9-12(20)17-15(13)19(2)18-11/h4-8H,3,9H2,1-2H3,(H,17,20)
InChIKeyUIODXYDSJPKPBC-UHFFFAOYSA-N
XLogP1.77
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The IUPAC name of 3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one (CID 136504171) is 3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one.
What is the SMILES notation for 3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The canonical SMILES for 3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one is CCc1nn(C)c2c1C(c1ccccc1)=NCC(=O)N2.
What is the InChIKey of 3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The InChIKey is UIODXYDSJPKPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-11-13-14(10-7-5-4-6-8-10)16-9-12(20)17-15(13)19(2)18-11/h4-8H,3,9H2,1-2H3,(H,17,20).
What are the key properties of 3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one has a molecular weight of 268.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one is sourced from PubChem (CID 136504171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).