2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone

C20H28N4O3 — CID 131672000

IUPAC2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(CN2Cc3ccnn3C(CCOCC(=O)N3CCCC3)C2)o1
InChIInChI=1S/C20H28N4O3/c1-16-4-5-19(27-16)14-22-12-17-6-8-21-24(17)18(13-22)7-11-26-15-20(25)23-9-2-3-10-23/h4-6,8,18H,2-3,7,9-15H2,1H3
InChIKeySLHPFEZYGCVLGX-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.37
Rot. Bonds7

About 2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone

2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 131672000) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone
PubChem CID131672000
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(CN2Cc3ccnn3C(CCOCC(=O)N3CCCC3)C2)o1
InChIInChI=1S/C20H28N4O3/c1-16-4-5-19(27-16)14-22-12-17-6-8-21-24(17)18(13-22)7-11-26-15-20(25)23-9-2-3-10-23/h4-6,8,18H,2-3,7,9-15H2,1H3
InChIKeySLHPFEZYGCVLGX-UHFFFAOYSA-N
XLogP2.37
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.37
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

2-[[5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 133142481
2-[[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 133143226
1-methyl-N-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861974
N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide
CID 131678201
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131671998
2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155844147
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832223
N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide
CID 131677993
2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 124785757
7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131644437
N-[[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide
CID 131678553
3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one
CID 131678513

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone (CID 131672000) is 2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone is Cc1ccc(CN2Cc3ccnn3C(CCOCC(=O)N3CCCC3)C2)o1.
What is the InChIKey of 2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is SLHPFEZYGCVLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-16-4-5-19(27-16)14-22-12-17-6-8-21-24(17)18(13-22)7-11-26-15-20(25)23-9-2-3-10-23/h4-6,8,18H,2-3,7,9-15H2,1H3.
What are the key properties of 2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 372.47 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 131672000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).