ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one

C12H21N3O — CID 145225215

IUPACethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
SMILESCC.Cc1cnn2c1N(C)C(=O)C(C)CC2
InChIInChI=1S/C10H15N3O.C2H6/c1-7-4-5-13-9(8(2)6-11-13)12(3)10(7)14;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyGZYMQQAZQAEOLZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.22
Rot. Bonds

About ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one

ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one (PubChem CID 145225215) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one.

Molecular Properties

Compound Nameethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
PubChem CID145225215
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
SMILESCC.Cc1cnn2c1N(C)C(=O)C(C)CC2
InChIInChI=1S/C10H15N3O.C2H6/c1-7-4-5-13-9(8(2)6-11-13)12(3)10(7)14;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyGZYMQQAZQAEOLZ-UHFFFAOYSA-N
XLogP2.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one with MolForge

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Related Compounds

N'-(1-butyl-4-methyl-1H-pyrazol-5-yl)-N,N-dimethylsuccinamide
CID 132409856
1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one
CID 59801883
6-amino-3,4-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 124178336
4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 124178660
6-iodo-3,4-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 124178674
3,4-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 124178675
6-azido-3,4-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 124178676
3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 132183338
3-Methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one
CID 137230907
4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 163665455
4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 169854391
(6S)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 169854395

Frequently Asked Questions

What is the IUPAC name of ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The IUPAC name of ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one (CID 145225215) is ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one.
What is the SMILES notation for ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The canonical SMILES for ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one is CC.Cc1cnn2c1N(C)C(=O)C(C)CC2.
What is the InChIKey of ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The InChIKey is GZYMQQAZQAEOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C2H6/c1-7-4-5-13-9(8(2)6-11-13)12(3)10(7)14;1-2/h6-7H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one has a molecular weight of 223.32 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one is sourced from PubChem (CID 145225215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).