morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone

C20H26N4O3 — CID 131654610

IUPACmorpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone
SMILESO=C(C1CN(CCOCc2ccccc2)Cc2ccnn21)N1CCOCC1
InChIInChI=1S/C20H26N4O3/c25-20(23-9-12-26-13-10-23)19-15-22(14-18-6-7-21-24(18)19)8-11-27-16-17-4-2-1-3-5-17/h1-7,19H,8-16H2
InChIKeyMIDPMHIKWHOPCP-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.32
Rot. Bonds6

About morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone

morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 131654610) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone
PubChem CID131654610
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Namemorpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone
SMILESO=C(C1CN(CCOCc2ccccc2)Cc2ccnn21)N1CCOCC1
InChIInChI=1S/C20H26N4O3/c25-20(23-9-12-26-13-10-23)19-15-22(14-18-6-7-21-24(18)19)8-11-27-16-17-4-2-1-3-5-17/h1-7,19H,8-16H2
InChIKeyMIDPMHIKWHOPCP-UHFFFAOYSA-N
XLogP1.32
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124810265
(7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124913707
(7R)-7-(methoxymethyl)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124796899
1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124797101
2-cyclopropyl-1-[7-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 131693184
5-(2-phenylmethoxyethyl)-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133137057
5-(2-phenylmethoxyethyl)-7-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131647854
(4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
CID 56902222
2-(2-phenylmethoxyethyl)pyrazole-3-carboxylic acid
CID 137425411
sodium;bromomethylbenzene;hydride;2-morpholin-4-ylethanol;4-(2-phenylmethoxyethyl)morpholine
CID 163933477
2-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-1-morpholin-4-ylethanone
CID 131638868

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone (CID 131654610) is morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone is O=C(C1CN(CCOCc2ccccc2)Cc2ccnn21)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is MIDPMHIKWHOPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-20(23-9-12-26-13-10-23)19-15-22(14-18-6-7-21-24(18)19)8-11-27-16-17-4-2-1-3-5-17/h1-7,19H,8-16H2.
What are the key properties of morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone?
morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 131654610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).