1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone

C20H26N4O2 — CID 124797101

IUPAC1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
SMILESO=C(C[C@H]1CN(CCc2ccccc2)Cc2ccnn21)N1CCOCC1
InChIInChI=1S/C20H26N4O2/c25-20(23-10-12-26-13-11-23)14-19-16-22(15-18-6-8-21-24(18)19)9-7-17-4-2-1-3-5-17/h1-6,8,19H,7,9-16H2/t19-/m0/s1
InChIKeyZNKXXFFUTMCNLJ-IBGZPJMESA-N
MW354.45 g/mol
LogP1.73
Rot. Bonds5

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

1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 124797101) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID124797101
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
SMILESO=C(C[C@H]1CN(CCc2ccccc2)Cc2ccnn21)N1CCOCC1
InChIInChI=1S/C20H26N4O2/c25-20(23-10-12-26-13-11-23)14-19-16-22(15-18-6-8-21-24(18)19)9-7-17-4-2-1-3-5-17/h1-6,8,19H,7,9-16H2/t19-/m0/s1
InChIKeyZNKXXFFUTMCNLJ-IBGZPJMESA-N
XLogP1.73
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-1-morpholin-4-ylethanone
CID 131638868
2-[(7R)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-morpholin-4-ylethanone
CID 124790894
1-(azetidin-1-yl)-2-[(7S)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124791182
morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone
CID 131654610
2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 155851845
1-(azetidin-1-yl)-2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155864066
N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124810265
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 131694175
1-(3,3-difluoroazetidin-1-yl)-2-[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155861648
2-cyclopropyl-1-[7-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 131693184
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone (CID 124797101) is 1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone is O=C(C[C@H]1CN(CCc2ccccc2)Cc2ccnn21)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is ZNKXXFFUTMCNLJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N4O2/c25-20(23-10-12-26-13-11-23)14-19-16-22(15-18-6-8-21-24(18)19)9-7-17-4-2-1-3-5-17/h1-6,8,19H,7,9-16H2/t19-/m0/s1.
What are the key properties of 1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone?
1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 354.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 124797101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).