2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane

C11H19N3O — CID 172576216

IUPAC2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane
SMILESCC.Cc1cc2n(n1)CC(=O)N(C)CC2
InChIInChI=1S/C9H13N3O.C2H6/c1-7-5-8-3-4-11(2)9(13)6-12(8)10-7;1-2/h5H,3-4,6H2,1-2H3;1-2H3
InChIKeyGCQPHYHLKBMKMN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.23
Rot. Bonds

About 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane

2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane (PubChem CID 172576216) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane.

Molecular Properties

Compound Name2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane
PubChem CID172576216
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane
SMILESCC.Cc1cc2n(n1)CC(=O)N(C)CC2
InChIInChI=1S/C9H13N3O.C2H6/c1-7-5-8-3-4-11(2)9(13)6-12(8)10-7;1-2/h5H,3-4,6H2,1-2H3;1-2H3
InChIKeyGCQPHYHLKBMKMN-UHFFFAOYSA-N
XLogP1.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 142447260
2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 170725904
ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 177243494
2-methyl-6-propan-2-yl-4,5-dihydropyrazolo[1,5-c]pyrimidin-7-one
CID 177095850
2-[[8-amino-6-(7-methyl-2,2-dioxo-1,3-dihydro-[1,2]thiazolo[4,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 139468934
2-[[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 135345127
2-(7-oxo-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl)propanenitrile
CID 153397765
6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 146322898
2-[[8-amino-6-[5-(hydroxymethyl)-6-methyl-4-oxopyrimidin-1-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 135344704
3,5-dimethyl-1,2-thiazole;ethane;1-methylpyrrolidin-2-one
CID 168901457
1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine
CID 160619641
1-methylazetidin-2-one;1-methylazetidin-3-one
CID 160543934

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane?
The IUPAC name of 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane (CID 172576216) is 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane.
What is the SMILES notation for 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane?
The canonical SMILES for 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane is CC.Cc1cc2n(n1)CC(=O)N(C)CC2.
What is the InChIKey of 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane?
The InChIKey is GCQPHYHLKBMKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C2H6/c1-7-5-8-3-4-11(2)9(13)6-12(8)10-7;1-2/h5H,3-4,6H2,1-2H3;1-2H3.
What are the key properties of 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane?
2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane has a molecular weight of 209.29 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane is sourced from PubChem (CID 172576216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).