(4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

C19H19N3O2 — CID 51611426

IUPAC(4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)(C)c1ccc([C@@H]2NC(=O)c3n[nH]c(-c4ccco4)c32)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)12-8-6-11(7-9-12)15-14-16(13-5-4-10-24-13)21-22-17(14)18(23)20-15/h4-10,15H,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyDWNZBLIMPYBSAJ-HNNXBMFYSA-N
MW321.38 g/mol
LogP3.80
Rot. Bonds2

About (4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

(4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 51611426) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID51611426
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)(C)c1ccc([C@@H]2NC(=O)c3n[nH]c(-c4ccco4)c32)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)12-8-6-11(7-9-12)15-14-16(13-5-4-10-24-13)21-22-17(14)18(23)20-15/h4-10,15H,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyDWNZBLIMPYBSAJ-HNNXBMFYSA-N
XLogP3.80
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 20854727
(4S)-3-(furan-2-yl)-4-pyridin-3-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 51611436
(4R)-4-(4-tert-butylphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 51426511
4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 20854729
4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 46253338
4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 6490863
(8R)-8-(4-tert-butylphenyl)-10-(furan-2-yl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 136831359
3-(3-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 19616411
(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 7306255
methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 6490867
3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 42652818
(4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 29139185

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 51611426) is (4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is CC(C)(C)c1ccc([C@@H]2NC(=O)c3n[nH]c(-c4ccco4)c32)cc1.
What is the InChIKey of (4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is DWNZBLIMPYBSAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2,3)12-8-6-11(7-9-12)15-14-16(13-5-4-10-24-13)21-22-17(14)18(23)20-15/h4-10,15H,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of (4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
(4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 321.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-tert-butylphenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 51611426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).