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

C18H16N4O5 — CID 29139185

IUPAC(4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H16N4O5/c1-26-10-8-21-17(11-4-6-12(7-5-11)22(24)25)14-15(13-3-2-9-27-13)19-20-16(14)18(21)23/h2-7,9,17H,8,10H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyBNZJGZNFLPVPKA-KRWDZBQOSA-N
MW368.35 g/mol
LogP2.77
Rot. Bonds6

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

(4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 29139185) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is (4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID29139185
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name(4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H16N4O5/c1-26-10-8-21-17(11-4-6-12(7-5-11)22(24)25)14-15(13-3-2-9-27-13)19-20-16(14)18(21)23/h2-7,9,17H,8,10H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyBNZJGZNFLPVPKA-KRWDZBQOSA-N
XLogP2.77
TPSA114.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
(4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 51718753
(4R)-4-(2-fluorophenyl)-3-(furan-2-yl)-5-(2-methoxyethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 29130675
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
5-(furan-2-ylmethyl)-3-(4-methylphenyl)-4-(4-nitrophenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856234
(4R)-4-(furan-2-yl)-5-(2-methoxyethyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42536669
3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 42653418
4-(4-hydroxyphenyl)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42649301
4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-5-propyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 6490865
methyl 4-[(4R)-5-(2-methoxyethyl)-6-oxo-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 29127170

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 29139185) is (4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is BNZJGZNFLPVPKA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-26-10-8-21-17(11-4-6-12(7-5-11)22(24)25)14-15(13-3-2-9-27-13)19-20-16(14)18(21)23/h2-7,9,17H,8,10H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
(4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 368.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(furan-2-yl)-5-(2-methoxyethyl)-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 29139185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).