(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C20H24N4O2 — CID 163276727

IUPAC(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H](C1(c3ccccc3)CC1)CNC2=O
InChIInChI=1S/C20H24N4O2/c1-14-13-26-10-9-23(14)18-11-16-19(25)21-12-17(24(16)22-18)20(7-8-20)15-5-3-2-4-6-15/h2-6,11,14,17H,7-10,12-13H2,1H3,(H,21,25)/t14-,17+/m1/s1
InChIKeyXUMQZXNEGKZNGV-PBHICJAKSA-N
MW352.44 g/mol
LogP2.12
Rot. Bonds3

About (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163276727) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163276727
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1COCCN1c1cc2n(n1)[C@H](C1(c3ccccc3)CC1)CNC2=O
InChIInChI=1S/C20H24N4O2/c1-14-13-26-10-9-23(14)18-11-16-19(25)21-12-17(24(16)22-18)20(7-8-20)15-5-3-2-4-6-15/h2-6,11,14,17H,7-10,12-13H2,1H3,(H,21,25)/t14-,17+/m1/s1
InChIKeyXUMQZXNEGKZNGV-PBHICJAKSA-N
XLogP2.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163276727) is (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1COCCN1c1cc2n(n1)[C@H](C1(c3ccccc3)CC1)CNC2=O.
What is the InChIKey of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XUMQZXNEGKZNGV-PBHICJAKSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-13-26-10-9-23(14)18-11-16-19(25)21-12-17(24(16)22-18)20(7-8-20)15-5-3-2-4-6-15/h2-6,11,14,17H,7-10,12-13H2,1H3,(H,21,25)/t14-,17+/m1/s1.
What are the key properties of (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 352.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163276727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).