8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one

C11H16N4O — CID 79288414

IUPAC8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one
SMILESCc1nn(C)c2c1NC(=O)CCN2C1CC1
InChIInChI=1S/C11H16N4O/c1-7-10-11(14(2)13-7)15(8-3-4-8)6-5-9(16)12-10/h8H,3-6H2,1-2H3,(H,12,16)
InChIKeyBJULJBQMEYHPTQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.04
Rot. Bonds1

About 8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one

8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one (PubChem CID 79288414) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one.

Molecular Properties

Compound Name8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one
PubChem CID79288414
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one
SMILESCc1nn(C)c2c1NC(=O)CCN2C1CC1
InChIInChI=1S/C11H16N4O/c1-7-10-11(14(2)13-7)15(8-3-4-8)6-5-9(16)12-10/h8H,3-6H2,1-2H3,(H,12,16)
InChIKeyBJULJBQMEYHPTQ-UHFFFAOYSA-N
XLogP1.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one?
The IUPAC name of 8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one (CID 79288414) is 8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one.
What is the SMILES notation for 8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one?
The canonical SMILES for 8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one is Cc1nn(C)c2c1NC(=O)CCN2C1CC1.
What is the InChIKey of 8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one?
The InChIKey is BJULJBQMEYHPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-10-11(14(2)13-7)15(8-3-4-8)6-5-9(16)12-10/h8H,3-6H2,1-2H3,(H,12,16).
What are the key properties of 8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one?
8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one has a molecular weight of 220.28 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one is sourced from PubChem (CID 79288414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).