1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

C14H18N4O — CID 90647867

IUPAC1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCC(O)c1cc2n(n1)CCN(Cc1cccnc1)C2
InChIInChI=1S/C14H18N4O/c1-11(19)14-7-13-10-17(5-6-18(13)16-14)9-12-3-2-4-15-8-12/h2-4,7-8,11,19H,5-6,9-10H2,1H3
InChIKeyVYNDDBUAHIFAJG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.35
Rot. Bonds3

About 1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 90647867) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID90647867
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCC(O)c1cc2n(n1)CCN(Cc1cccnc1)C2
InChIInChI=1S/C14H18N4O/c1-11(19)14-7-13-10-17(5-6-18(13)16-14)9-12-3-2-4-15-8-12/h2-4,7-8,11,19H,5-6,9-10H2,1H3
InChIKeyVYNDDBUAHIFAJG-UHFFFAOYSA-N
XLogP1.35
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of 1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 90647867) is 1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for 1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for 1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is CC(O)c1cc2n(n1)CCN(Cc1cccnc1)C2.
What is the InChIKey of 1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is VYNDDBUAHIFAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(19)14-7-13-10-17(5-6-18(13)16-14)9-12-3-2-4-15-8-12/h2-4,7-8,11,19H,5-6,9-10H2,1H3.
What are the key properties of 1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 258.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 90647867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).