3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one

C15H15FN4O — CID 136504174

IUPAC3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
SMILESCCc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2
InChIInChI=1S/C15H15FN4O/c1-3-11-13-14(9-6-4-5-7-10(9)16)17-8-12(21)18-15(13)20(2)19-11/h4-7H,3,8H2,1-2H3,(H,18,21)
InChIKeySRAFLBYDJAHYEB-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.91
Rot. Bonds2

About 3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one

3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one (PubChem CID 136504174) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one.

Molecular Properties

Compound Name3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
PubChem CID136504174
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
SMILESCCc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2
InChIInChI=1S/C15H15FN4O/c1-3-11-13-14(9-6-4-5-7-10(9)16)17-8-12(21)18-15(13)20(2)19-11/h4-7H,3,8H2,1-2H3,(H,18,21)
InChIKeySRAFLBYDJAHYEB-UHFFFAOYSA-N
XLogP1.91
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The IUPAC name of 3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one (CID 136504174) is 3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one.
What is the SMILES notation for 3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The canonical SMILES for 3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one is CCc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2.
What is the InChIKey of 3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The InChIKey is SRAFLBYDJAHYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-3-11-13-14(9-6-4-5-7-10(9)16)17-8-12(21)18-15(13)20(2)19-11/h4-7H,3,8H2,1-2H3,(H,18,21).
What are the key properties of 3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one has a molecular weight of 286.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one is sourced from PubChem (CID 136504174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).