[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone

C20H26N4O3 — CID 90649444

IUPAC[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)c1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C20H26N4O3/c1-2-19(25)18-13-17-14-23(7-8-24(17)21-18)20(26)15-3-5-16(6-4-15)22-9-11-27-12-10-22/h3-6,13,19,25H,2,7-12,14H2,1H3
InChIKeyHKUWUAXVWISBFY-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.82
Rot. Bonds4

About [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone

[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone (PubChem CID 90649444) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone
PubChem CID90649444
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)c1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C20H26N4O3/c1-2-19(25)18-13-17-14-23(7-8-24(17)21-18)20(26)15-3-5-16(6-4-15)22-9-11-27-12-10-22/h3-6,13,19,25H,2,7-12,14H2,1H3
InChIKeyHKUWUAXVWISBFY-UHFFFAOYSA-N
XLogP1.82
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone?
The IUPAC name of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone (CID 90649444) is [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone is CCC(O)c1cc2n(n1)CCN(C(=O)c1ccc(N3CCOCC3)cc1)C2.
What is the InChIKey of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone?
The InChIKey is HKUWUAXVWISBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-19(25)18-13-17-14-23(7-8-24(17)21-18)20(26)15-3-5-16(6-4-15)22-9-11-27-12-10-22/h3-6,13,19,25H,2,7-12,14H2,1H3.
What are the key properties of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone?
[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone has a molecular weight of 370.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 90649444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).