(4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C18H16FN3O3 — CID 29130675

IUPAC(4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccccc1F
InChIInChI=1S/C18H16FN3O3/c1-24-10-8-22-17(11-5-2-3-6-12(11)19)14-15(13-7-4-9-25-13)20-21-16(14)18(22)23/h2-7,9,17H,8,10H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyGMSLVBBWKOHNPW-KRWDZBQOSA-N
MW341.34 g/mol
LogP3.00
Rot. Bonds5

About (4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

(4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 29130675) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is (4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID29130675
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name(4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccccc1F
InChIInChI=1S/C18H16FN3O3/c1-24-10-8-22-17(11-5-2-3-6-12(11)19)14-15(13-7-4-9-25-13)20-21-16(14)18(22)23/h2-7,9,17H,8,10H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyGMSLVBBWKOHNPW-KRWDZBQOSA-N
XLogP3.00
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 42648412
(4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 29139185
3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 42652818
methyl 4-[3-(furan-2-yl)-5-(2-methoxyethyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 42651125
4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-methoxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135785989
4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 6490865
(4R)-4-(furan-2-yl)-5-(2-methoxyethyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42536669
4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(2-methoxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857668
4-(4-ethylphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 6490863
methyl 4-[3-(furan-2-yl)-6-oxo-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 6490867
3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(2-fluorophenyl)-5-(3-methoxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135586781
4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-2-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 46948863

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 29130675) is (4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccccc1F.
What is the InChIKey of (4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is GMSLVBBWKOHNPW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-24-10-8-22-17(11-5-2-3-6-12(11)19)14-15(13-7-4-9-25-13)20-21-16(14)18(22)23/h2-7,9,17H,8,10H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
(4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 341.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 29130675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).