4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole

C20H18FN5O2 — CID 51424031

IUPAC4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole
SMILESCc1c([C@H]2CC(c3ccc(F)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cnn1C
InChIInChI=1S/C20H18FN5O2/c1-13-18(12-22-24(13)2)20-11-19(14-3-5-15(21)6-4-14)23-25(20)16-7-9-17(10-8-16)26(27)28/h3-10,12,20H,11H2,1-2H3/t20-/m1/s1
InChIKeySPUPBMLWHBEWRD-HXUWFJFHSA-N
MW379.40 g/mol
LogP4.13
Rot. Bonds4

About 4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole

4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole (PubChem CID 51424031) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole
PubChem CID51424031
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole
SMILESCc1c([C@H]2CC(c3ccc(F)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cnn1C
InChIInChI=1S/C20H18FN5O2/c1-13-18(12-22-24(13)2)20-11-19(14-3-5-15(21)6-4-14)23-25(20)16-7-9-17(10-8-16)26(27)28/h3-10,12,20H,11H2,1-2H3/t20-/m1/s1
InChIKeySPUPBMLWHBEWRD-HXUWFJFHSA-N
XLogP4.13
TPSA76.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
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

1-ethyl-4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-5-methylpyrazole
CID 40554382
4-[(3S)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1-methylpyrazole
CID 51428308
(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 7154940
4-[3-(1,5-dimethylpyrazol-4-yl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 136835847
4-[(3R)-5-(4-iodophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1-methylpyrazole
CID 51618536
1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole
CID 51851957
(3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
CID 95989229
3-[3-(1,3-dimethylpyrazol-4-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 53491327
3-(4-chlorophenyl)-5-(4-ethylphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 3562515
3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine
CID 133180304
3-[2-(4-nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenol
CID 53491313
5-(4-methylsulfanylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]-2-phenyl-3,4-dihydropyrazole
CID 11547010

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole?
The IUPAC name of 4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole (CID 51424031) is 4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole.
What is the SMILES notation for 4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole?
The canonical SMILES for 4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole is Cc1c([C@H]2CC(c3ccc(F)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cnn1C.
What is the InChIKey of 4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole?
The InChIKey is SPUPBMLWHBEWRD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-13-18(12-22-24(13)2)20-11-19(14-3-5-15(21)6-4-14)23-25(20)16-7-9-17(10-8-16)26(27)28/h3-10,12,20H,11H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole?
4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole has a molecular weight of 379.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole is sourced from PubChem (CID 51424031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).