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

C15H15FN4O — CID 136504183

IUPAC1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
SMILESCCn1nc(C)c2c1NC(=O)CN=C2c1ccccc1F
InChIInChI=1S/C15H15FN4O/c1-3-20-15-13(9(2)19-20)14(17-8-12(21)18-15)10-6-4-5-7-11(10)16/h4-7H,3,8H2,1-2H3,(H,18,21)
InChIKeyFNCSZWVVWMBHQV-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.14
Rot. Bonds2

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

1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one (PubChem CID 136504183) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one.

Molecular Properties

Compound Name1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
PubChem CID136504183
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
SMILESCCn1nc(C)c2c1NC(=O)CN=C2c1ccccc1F
InChIInChI=1S/C15H15FN4O/c1-3-20-15-13(9(2)19-20)14(17-8-12(21)18-15)10-6-4-5-7-11(10)16/h4-7H,3,8H2,1-2H3,(H,18,21)
InChIKeyFNCSZWVVWMBHQV-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The IUPAC name of 1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one (CID 136504183) is 1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one.
What is the SMILES notation for 1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The canonical SMILES for 1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one is CCn1nc(C)c2c1NC(=O)CN=C2c1ccccc1F.
What is the InChIKey of 1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The InChIKey is FNCSZWVVWMBHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-3-20-15-13(9(2)19-20)14(17-8-12(21)18-15)10-6-4-5-7-11(10)16/h4-7H,3,8H2,1-2H3,(H,18,21).
What are the key properties of 1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one has a molecular weight of 286.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one is sourced from PubChem (CID 136504183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).