(7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C22H24N4O — CID 125127238

IUPAC(7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3n(n2)[C@H](NCCCc2ccccc2)CNC3=O)cc1
InChIInChI=1S/C22H24N4O/c1-16-9-11-18(12-10-16)19-14-20-22(27)24-15-21(26(20)25-19)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,21,23H,5,8,13,15H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyLSLPHVIGAJNBSZ-NRFANRHFSA-N
MW360.46 g/mol
LogP3.32
Rot. Bonds6

About (7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125127238) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID125127238
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3n(n2)[C@H](NCCCc2ccccc2)CNC3=O)cc1
InChIInChI=1S/C22H24N4O/c1-16-9-11-18(12-10-16)19-14-20-22(27)24-15-21(26(20)25-19)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,21,23H,5,8,13,15H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyLSLPHVIGAJNBSZ-NRFANRHFSA-N
XLogP3.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125127610
7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888520
(7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125127113
7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888513
(7S)-7-[(3-bromophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 99741825
(7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 99741830
7-[(3-bromophenyl)methylamino]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888423
2-(4-chlorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888466
(7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125128714
(7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125127240
(7R)-7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125126211
(7S)-7-(furan-2-ylmethylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125128428

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125127238) is (7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2cc3n(n2)[C@H](NCCCc2ccccc2)CNC3=O)cc1.
What is the InChIKey of (7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LSLPHVIGAJNBSZ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-9-11-18(12-10-16)19-14-20-22(27)24-15-21(26(20)25-19)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,21,23H,5,8,13,15H2,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of (7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 360.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(4-methylphenyl)-7-(3-phenylpropylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125127238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).