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

C11H17N3O2 — CID 145225417

IUPAC(6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
SMILESC[C@@H]1CCn2nc(CCO)cc2N(C)C1=O
InChIInChI=1S/C11H17N3O2/c1-8-3-5-14-10(13(2)11(8)16)7-9(12-14)4-6-15/h7-8,15H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyPTVFTMKKGINNJH-MRVPVSSYSA-N
MW223.28 g/mol
LogP0.42
Rot. Bonds2

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

(6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one (PubChem CID 145225417) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one.

Molecular Properties

Compound Name(6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
PubChem CID145225417
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
SMILESC[C@@H]1CCn2nc(CCO)cc2N(C)C1=O
InChIInChI=1S/C11H17N3O2/c1-8-3-5-14-10(13(2)11(8)16)7-9(12-14)4-6-15/h7-8,15H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyPTVFTMKKGINNJH-MRVPVSSYSA-N
XLogP0.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one with MolForge

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Related Compounds

N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide
CID 175813205
[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid
CID 174219322
1-benzyl-N-[(6S)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-2-methyl-3H-1,2,4-triazole-3-carboxamide
CID 155480529
N-[(6R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide
CID 175813267
(6R)-6-amino-2-[(1S)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;(6S)-6-amino-2-[(1S)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;(6R)-6-amino-2-[(1R)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;(6S)-6-amino-2-[(1R)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 158980257
4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane
CID 145225486
ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 145225215
1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide
CID 140764896
2-heptyl-4-methyl-5-methylidene-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepine
CID 155480460
5-methyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838478
(3S)-1,3-dimethylpyrrolidin-2-one;ethane
CID 144550831
1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The IUPAC name of (6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one (CID 145225417) is (6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one.
What is the SMILES notation for (6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The canonical SMILES for (6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one is C[C@@H]1CCn2nc(CCO)cc2N(C)C1=O.
What is the InChIKey of (6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The InChIKey is PTVFTMKKGINNJH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-5-14-10(13(2)11(8)16)7-9(12-14)4-6-15/h7-8,15H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
(6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one has a molecular weight of 223.28 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one is sourced from PubChem (CID 145225417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).