1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one

C15H18N4O — CID 79288770

IUPAC1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one
SMILESCc1ccccc1N1CCC(=O)Nc2c(C)nn(C)c21
InChIInChI=1S/C15H18N4O/c1-10-6-4-5-7-12(10)19-9-8-13(20)16-14-11(2)17-18(3)15(14)19/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKeyNQMJWAMJYWYVKL-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.52
Rot. Bonds1

About 1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one

1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one (PubChem CID 79288770) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one.

Molecular Properties

Compound Name1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one
PubChem CID79288770
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one
SMILESCc1ccccc1N1CCC(=O)Nc2c(C)nn(C)c21
InChIInChI=1S/C15H18N4O/c1-10-6-4-5-7-12(10)19-9-8-13(20)16-14-11(2)17-18(3)15(14)19/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKeyNQMJWAMJYWYVKL-UHFFFAOYSA-N
XLogP2.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one?
The IUPAC name of 1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one (CID 79288770) is 1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one.
What is the SMILES notation for 1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one?
The canonical SMILES for 1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one is Cc1ccccc1N1CCC(=O)Nc2c(C)nn(C)c21.
What is the InChIKey of 1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one?
The InChIKey is NQMJWAMJYWYVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-6-4-5-7-12(10)19-9-8-13(20)16-14-11(2)17-18(3)15(14)19/h4-7H,8-9H2,1-3H3,(H,16,20).
What are the key properties of 1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one?
1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one has a molecular weight of 270.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one is sourced from PubChem (CID 79288770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).