5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole

C15H10FN3O2 — CID 141141729

IUPAC5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole
SMILESO=[N+]([O-])c1ccccc1-n1nccc1-c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-12-7-5-11(6-8-12)13-9-10-17-18(13)14-3-1-2-4-15(14)19(20)21/h1-10H
InChIKeyWRMLIIWZHCIRIH-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.59
Rot. Bonds3

About 5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole

5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole (PubChem CID 141141729) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole
PubChem CID141141729
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole
SMILESO=[N+]([O-])c1ccccc1-n1nccc1-c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-12-7-5-11(6-8-12)13-9-10-17-18(13)14-3-1-2-4-15(14)19(20)21/h1-10H
InChIKeyWRMLIIWZHCIRIH-UHFFFAOYSA-N
XLogP3.59
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(2-nitrophenyl)pyrazol-3-amine
CID 10375626
2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole
CID 56956111
1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole
CID 21105009
1-(2,4-dinitrophenyl)-5-(4-fluorophenyl)-3-naphthalen-2-ylpyrazole
CID 154706591
1-(2,4-dinitrophenyl)-5-(4-fluorophenyl)-3-naphthalen-1-ylpyrazole
CID 154725966
3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one
CID 2346702
3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133284927
3-(4-chlorophenyl)-1-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3997761
1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-(2-nitrophenyl)piperazine;hydrochloride
CID 162329357
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647
4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine
CID 70981081
5-(2-nitrophenyl)-1-propan-2-ylpyrazole
CID 22493341

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole (CID 141141729) is 5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole is O=[N+]([O-])c1ccccc1-n1nccc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole?
The InChIKey is WRMLIIWZHCIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-12-7-5-11(6-8-12)13-9-10-17-18(13)14-3-1-2-4-15(14)19(20)21/h1-10H.
What are the key properties of 5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole?
5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole has a molecular weight of 283.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole is sourced from PubChem (CID 141141729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).