(7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C20H28N4O — CID 124913707

IUPAC(7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESc1ccc(COCCN2Cc3ccnn3[C@H](CN3CCCC3)C2)cc1
InChIInChI=1S/C20H28N4O/c1-2-6-18(7-3-1)17-25-13-12-23-14-19-8-9-21-24(19)20(16-23)15-22-10-4-5-11-22/h1-3,6-9,20H,4-5,10-17H2/t20-/m1/s1
InChIKeyDHHHSRVPBNWULF-HXUWFJFHSA-N
MW340.47 g/mol
LogP2.55
Rot. Bonds7

About (7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

(7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 124913707) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID124913707
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESc1ccc(COCCN2Cc3ccnn3[C@H](CN3CCCC3)C2)cc1
InChIInChI=1S/C20H28N4O/c1-2-6-18(7-3-1)17-25-13-12-23-14-19-8-9-21-24(19)20(16-23)15-22-10-4-5-11-22/h1-3,6-9,20H,4-5,10-17H2/t20-/m1/s1
InChIKeyDHHHSRVPBNWULF-HXUWFJFHSA-N
XLogP2.55
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.55
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)-7-(methoxymethyl)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124796899
5-(2-phenylmethoxyethyl)-7-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131647854
5-(2-phenylmethoxyethyl)-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133137057
N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124810265
(7R)-N,N-dimethyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124805243
morpholin-4-yl-[5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone
CID 131654610
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
2-pyridin-2-yl-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 133142158
2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 157014112
1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 133136395
1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124797101

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of (7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 124913707) is (7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for (7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for (7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is c1ccc(COCCN2Cc3ccnn3[C@H](CN3CCCC3)C2)cc1.
What is the InChIKey of (7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is DHHHSRVPBNWULF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N4O/c1-2-6-18(7-3-1)17-25-13-12-23-14-19-8-9-21-24(19)20(16-23)15-22-10-4-5-11-22/h1-3,6-9,20H,4-5,10-17H2/t20-/m1/s1.
What are the key properties of (7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
(7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 340.47 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(2-phenylmethoxyethyl)-7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 124913707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).