(3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole

C19H15N3O3 — CID 95989229

IUPAC(3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccco2)cc1
InChIInChI=1S/C19H15N3O3/c23-22(24)16-10-8-15(9-11-16)21-18(19-7-4-12-25-19)13-17(20-21)14-5-2-1-3-6-14/h1-12,18H,13H2/t18-/m1/s1
InChIKeyVWUSOWGFGKXROR-GOSISDBHSA-N
MW333.35 g/mol
LogP4.54
Rot. Bonds4

About (3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole

(3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole (PubChem CID 95989229) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
PubChem CID95989229
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccco2)cc1
InChIInChI=1S/C19H15N3O3/c23-22(24)16-10-8-15(9-11-16)21-18(19-7-4-12-25-19)13-17(20-21)14-5-2-1-3-6-14/h1-12,18H,13H2/t18-/m1/s1
InChIKeyVWUSOWGFGKXROR-GOSISDBHSA-N
XLogP4.54
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(3S)-3-(furan-2-yl)-5-methyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 7065439
(3S)-3-(furan-2-yl)-5-[(Z)-2-(4-nitrophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 99901379
2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-3-carbonitrile
CID 3129449
N,N-dimethyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 7194736
1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole
CID 51851957
5-(4-methylsulfanylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]-2-phenyl-3,4-dihydropyrazole
CID 11547010
5-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
CID 67499287
N-[(Z)-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]-4-nitrobenzamide
CID 41033095
5-tert-butyl-1-[4-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]triazole
CID 5021333
2-fluoro-N-[2-[(3S)-3-(furan-2-yl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylbenzamide
CID 93129302
2-fluoro-N-[2-[(3R)-3-(furan-2-yl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylbenzamide
CID 93129303
1-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(3-nitrophenyl)methanimine
CID 40901413

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole (CID 95989229) is (3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole is O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccco2)cc1.
What is the InChIKey of (3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole?
The InChIKey is VWUSOWGFGKXROR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-22(24)16-10-8-15(9-11-16)21-18(19-7-4-12-25-19)13-17(20-21)14-5-2-1-3-6-14/h1-12,18H,13H2/t18-/m1/s1.
What are the key properties of (3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole?
(3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole has a molecular weight of 333.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 95989229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).