3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole

C24H18FN5O2 — CID 71594555

IUPAC3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
SMILESO=[N+]([O-])c1cccc(C2=NNC(c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)c1
InChIInChI=1S/C24H18FN5O2/c25-18-11-9-16(10-12-18)24-21(15-29(28-24)19-6-2-1-3-7-19)23-14-22(26-27-23)17-5-4-8-20(13-17)30(31)32/h1-13,15,23,27H,14H2
InChIKeyBEXGYEVZDAACLU-UHFFFAOYSA-N
MW427.44 g/mol
LogP5.03
Rot. Bonds5

About 3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole

3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole (PubChem CID 71594555) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
PubChem CID71594555
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
SMILESO=[N+]([O-])c1cccc(C2=NNC(c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)c1
InChIInChI=1S/C24H18FN5O2/c25-18-11-9-16(10-12-18)24-21(15-29(28-24)19-6-2-1-3-7-19)23-14-22(26-27-23)17-5-4-8-20(13-17)30(31)32/h1-13,15,23,27H,14H2
InChIKeyBEXGYEVZDAACLU-UHFFFAOYSA-N
XLogP5.03
TPSA85.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.44
LogP ≤ 55.03
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

1,3-diphenyl-1H-pyrazole-4-carbaldehyde (4-nitrophenyl)hydrazone
CID 5750556
4-{(2E)-2-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-3-nitrobenzonitrile
CID 9658878
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16188374
(R)-1-(2-fluorophenyl)-4-((S)-2-(1-phenyl-1H-pyrazol-3-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487911
(Z)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
CID 70684091
2-(4-methylpiperazin-1-yl)-N-[[1-(4-nitrophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]ethanamine
CID 72547036
1-[1-(4-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(1-propyl-4-piperidyl)methyl]methanamine
CID 73352611
3-(4-methylpiperazin-1-yl)-N-[[1-(4-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]propan-1-amine
CID 73354110
2-(4-methylpiperazin-1-yl)-N-[[1-(4-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]ethanamine
CID 73355631
1-[(E)-[1-(4-methylphenyl)-3-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]-3-phenylthiourea
CID 118734029
1-(4-bromophenyl)-3-(4-nitrophenyl)-4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole
CID 118734051
N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine
CID 1288098

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The IUPAC name of 3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole (CID 71594555) is 3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole is O=[N+]([O-])c1cccc(C2=NNC(c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The InChIKey is BEXGYEVZDAACLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c25-18-11-9-16(10-12-18)24-21(15-29(28-24)19-6-2-1-3-7-19)23-14-22(26-27-23)17-5-4-8-20(13-17)30(31)32/h1-13,15,23,27H,14H2.
What are the key properties of 3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole has a molecular weight of 427.44 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole is sourced from PubChem (CID 71594555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).