3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide

C20H24N4O3 — CID 72924836

IUPAC3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCc1cc2n(n1)CCN(Cc1cc3ccccc3o1)C2)NCCO
InChIInChI=1S/C20H24N4O3/c25-10-7-21-20(26)6-5-16-12-17-13-23(8-9-24(17)22-16)14-18-11-15-3-1-2-4-19(15)27-18/h1-4,11-12,25H,5-10,13-14H2,(H,21,26)
InChIKeyQFSAKLMJSKXWDL-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.69
Rot. Bonds7

About 3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide

3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide (PubChem CID 72924836) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide
PubChem CID72924836
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCc1cc2n(n1)CCN(Cc1cc3ccccc3o1)C2)NCCO
InChIInChI=1S/C20H24N4O3/c25-10-7-21-20(26)6-5-16-12-17-13-23(8-9-24(17)22-16)14-18-11-15-3-1-2-4-19(15)27-18/h1-4,11-12,25H,5-10,13-14H2,(H,21,26)
InChIKeyQFSAKLMJSKXWDL-UHFFFAOYSA-N
XLogP1.69
TPSA83.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide (CID 72924836) is 3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide is O=C(CCc1cc2n(n1)CCN(Cc1cc3ccccc3o1)C2)NCCO.
What is the InChIKey of 3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is QFSAKLMJSKXWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-10-7-21-20(26)6-5-16-12-17-13-23(8-9-24(17)22-16)14-18-11-15-3-1-2-4-19(15)27-18/h1-4,11-12,25H,5-10,13-14H2,(H,21,26).
What are the key properties of 3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide?
3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 368.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-benzofuran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 72924836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).