(7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C12H10ClN3O2 — CID 97032410

IUPAC(7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NC[C@H](O)n2nc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C12H10ClN3O2/c13-8-3-1-7(2-4-8)9-5-10-12(18)14-6-11(17)16(10)15-9/h1-5,11,17H,6H2,(H,14,18)/t11-/m0/s1
InChIKeyKLBGRXJPOCMZNT-NSHDSACASA-N
MW263.68 g/mol
LogP1.44
Rot. Bonds1

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

(7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 97032410) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is (7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID97032410
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name(7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NC[C@H](O)n2nc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C12H10ClN3O2/c13-8-3-1-7(2-4-8)9-5-10-12(18)14-6-11(17)16(10)15-9/h1-5,11,17H,6H2,(H,14,18)/t11-/m0/s1
InChIKeyKLBGRXJPOCMZNT-NSHDSACASA-N
XLogP1.44
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91895161
(7S)-2-(4-chlorophenyl)-7-[(3,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125126957
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-[(2-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125127048
2-(3-chlorophenyl)-7-(nitrosomethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118087442
(7S)-7-[(2,5-difluorophenyl)methylamino]-2-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 99741833
(7S)-7-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125128220
6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139027620
7-[(3,5-difluorophenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888520
2-(3-fluorophenyl)-7-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118062871
7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888513
(7R)-7-(benzylamino)-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125127113

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 97032410) is (7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NC[C@H](O)n2nc(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of (7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KLBGRXJPOCMZNT-NSHDSACASA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-8-3-1-7(2-4-8)9-5-10-12(18)14-6-11(17)16(10)15-9/h1-5,11,17H,6H2,(H,14,18)/t11-/m0/s1.
What are the key properties of (7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 263.68 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 97032410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).