[5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C17H20N4O — CID 91793719

IUPAC[5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(CCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C17H20N4O/c22-12-14-9-15-11-20(7-8-21(15)19-14)6-5-13-10-18-17-4-2-1-3-16(13)17/h1-4,9-10,18,22H,5-8,11-12H2
InChIKeyTVJFNTOAVYYPCA-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.91
Rot. Bonds4

About [5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

[5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91793719) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91793719
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(CCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C17H20N4O/c22-12-14-9-15-11-20(7-8-21(15)19-14)6-5-13-10-18-17-4-2-1-3-16(13)17/h1-4,9-10,18,22H,5-8,11-12H2
InChIKeyTVJFNTOAVYYPCA-UHFFFAOYSA-N
XLogP1.91
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91793719) is [5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is OCc1cc2n(n1)CCN(CCc1c[nH]c3ccccc13)C2.
What is the InChIKey of [5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is TVJFNTOAVYYPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-12-14-9-15-11-20(7-8-21(15)19-14)6-5-13-10-18-17-4-2-1-3-16(13)17/h1-4,9-10,18,22H,5-8,11-12H2.
What are the key properties of [5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 296.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91793719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).