1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole

C10H6F3N3O2 — CID 21105009

IUPAC1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole
SMILESO=[N+]([O-])c1ccccc1-n1nccc1C(F)(F)F
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)9-5-6-14-15(9)7-3-1-2-4-8(7)16(17)18/h1-6H
InChIKeyVGGROQRTRZAKBJ-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole

1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 21105009) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole
PubChem CID21105009
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole
SMILESO=[N+]([O-])c1ccccc1-n1nccc1C(F)(F)F
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)9-5-6-14-15(9)7-3-1-2-4-8(7)16(17)18/h1-6H
InChIKeyVGGROQRTRZAKBJ-UHFFFAOYSA-N
XLogP2.80
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.80
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
5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole
CID 141141729
2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole
CID 56956111
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647
1-[5-methyl-1-(2-nitrophenyl)pyrazol-4-yl]ethanamine
CID 43209038
4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one
CID 101357762
1-[2,3-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazol-5-amine
CID 19861565
3-tert-butyl-1-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4602513
N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 30399981
2-methyl-N-(2-nitrophenyl)pyrazol-3-amine
CID 142742599
2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634370
azanide;1,2-dinitrobenzene;platinum
CID 158959684

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole (CID 21105009) is 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole is O=[N+]([O-])c1ccccc1-n1nccc1C(F)(F)F.
What is the InChIKey of 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is VGGROQRTRZAKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)9-5-6-14-15(9)7-3-1-2-4-8(7)16(17)18/h1-6H.
What are the key properties of 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole?
1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 257.17 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 21105009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).