N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide

C19H26N4O2 — CID 124810265

IUPACN,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
SMILESCN(C)C(=O)C[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21
InChIInChI=1S/C19H26N4O2/c1-21(2)19(24)12-18-14-22(13-17-8-9-20-23(17)18)10-11-25-15-16-6-4-3-5-7-16/h3-9,18H,10-15H2,1-2H3/t18-/m0/s1
InChIKeyVBWNRALJOVDDBH-SFHVURJKSA-N
MW342.44 g/mol
LogP1.93
Rot. Bonds7

About N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide

N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide (PubChem CID 124810265) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
PubChem CID124810265
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
SMILESCN(C)C(=O)C[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21
InChIInChI=1S/C19H26N4O2/c1-21(2)19(24)12-18-14-22(13-17-8-9-20-23(17)18)10-11-25-15-16-6-4-3-5-7-16/h3-9,18H,10-15H2,1-2H3/t18-/m0/s1
InChIKeyVBWNRALJOVDDBH-SFHVURJKSA-N
XLogP1.93
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7R)-N,N-dimethyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124805243
(7R)-7-(methoxymethyl)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124796899
(7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124913707
5-(2-phenylmethoxyethyl)-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133137057
morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone
CID 131654610
1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124797101
2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide
CID 131693452
5-(2-phenylmethoxyethyl)-7-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131647854
2-[[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155843594
N-[2-[(7R)-5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124813571
N,N-dimethyl-2-[(1R,5S)-6-(2-phenylmethoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133132144
2-[[(7S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide
CID 124804983

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide (CID 124810265) is N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide is CN(C)C(=O)C[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21.
What is the InChIKey of N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The InChIKey is VBWNRALJOVDDBH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-21(2)19(24)12-18-14-22(13-17-8-9-20-23(17)18)10-11-25-15-16-6-4-3-5-7-16/h3-9,18H,10-15H2,1-2H3/t18-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 124810265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).