4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole

C24H17BrFN5O — CID 71594538

IUPAC4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
SMILESO=NN1N=C(c2ccc(Br)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H17BrFN5O/c25-18-10-6-16(7-11-18)22-14-23(31(27-22)29-32)21-15-30(20-4-2-1-3-5-20)28-24(21)17-8-12-19(26)13-9-17/h1-13,15,23H,14H2
InChIKeyWVFAXYDGNUMRRQ-UHFFFAOYSA-N
MW490.34 g/mol
LogP6.27
Rot. Bonds5

About 4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole

4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole (PubChem CID 71594538) has the molecular formula C24H17BrFN5O and a molecular weight of 490.34 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
PubChem CID71594538
Molecular FormulaC24H17BrFN5O
Molecular Weight490.34 g/mol
Exact Mass489.06
IUPAC Name4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
SMILESO=NN1N=C(c2ccc(Br)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H17BrFN5O/c25-18-10-6-16(7-11-18)22-14-23(31(27-22)29-32)21-15-30(20-4-2-1-3-5-20)28-24(21)17-8-12-19(26)13-9-17/h1-13,15,23H,14H2
InChIKeyWVFAXYDGNUMRRQ-UHFFFAOYSA-N
XLogP6.27
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.34
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-(4-nitrophenyl)-4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole
CID 118734051
1-[3-[1-(4-Bromophenyl)-3-(p-tolyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 118734053
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
CID 66560343
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoroaniline
CID 70692668
N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine
CID 1288098
[(Z)-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea
CID 5532506
1-(4-bromophenyl)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
CID 5942911
1H-Pyrazole, 5-(4-bromophenyl)-1,3-diphenyl-
CID 11372268
3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
CID 57391778
4-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
CID 57394185
4-bromo-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 66560258
4-bromo-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 66560259

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole?
The IUPAC name of 4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole (CID 71594538) is 4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole?
The canonical SMILES for 4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole is O=NN1N=C(c2ccc(Br)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole?
The InChIKey is WVFAXYDGNUMRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFN5O/c25-18-10-6-16(7-11-18)22-14-23(31(27-22)29-32)21-15-30(20-4-2-1-3-5-20)28-24(21)17-8-12-19(26)13-9-17/h1-13,15,23H,14H2.
What are the key properties of 4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole?
4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole has a molecular weight of 490.34 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole is sourced from PubChem (CID 71594538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).