1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

C21H25N3O3 — CID 90651610

IUPAC1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCCOc1ccc(-c2ccc(CN3CCn4nc(C(C)O)cc4C3)o2)cc1
InChIInChI=1S/C21H25N3O3/c1-3-26-18-6-4-16(5-7-18)21-9-8-19(27-21)14-23-10-11-24-17(13-23)12-20(22-24)15(2)25/h4-9,12,15,25H,3,10-11,13-14H2,1-2H3
InChIKeyGNZXCLPVSBQHDH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.61
Rot. Bonds6

About 1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 90651610) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID90651610
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCCOc1ccc(-c2ccc(CN3CCn4nc(C(C)O)cc4C3)o2)cc1
InChIInChI=1S/C21H25N3O3/c1-3-26-18-6-4-16(5-7-18)21-9-8-19(27-21)14-23-10-11-24-17(13-23)12-20(22-24)15(2)25/h4-9,12,15,25H,3,10-11,13-14H2,1-2H3
InChIKeyGNZXCLPVSBQHDH-UHFFFAOYSA-N
XLogP3.61
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of 1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 90651610) is 1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for 1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for 1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is CCOc1ccc(-c2ccc(CN3CCn4nc(C(C)O)cc4C3)o2)cc1.
What is the InChIKey of 1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is GNZXCLPVSBQHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-26-18-6-4-16(5-7-18)21-9-8-19(27-21)14-23-10-11-24-17(13-23)12-20(22-24)15(2)25/h4-9,12,15,25H,3,10-11,13-14H2,1-2H3.
What are the key properties of 1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 367.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 90651610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).