5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole

C11H6F5N3O3 — CID 10758230

IUPAC5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
SMILESO=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2OC(F)F)cc1
InChIInChI=1S/C11H6F5N3O3/c12-10(13)22-9-5-8(11(14,15)16)17-18(9)6-1-3-7(4-2-6)19(20)21/h1-5,10H
InChIKeyFBBYLNRFLVJCPV-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.40
Rot. Bonds4

About 5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole

5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 10758230) has the molecular formula C11H6F5N3O3 and a molecular weight of 323.18 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID10758230
Molecular FormulaC11H6F5N3O3
Molecular Weight323.18 g/mol
Exact Mass323.03
IUPAC Name5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
SMILESO=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2OC(F)F)cc1
InChIInChI=1S/C11H6F5N3O3/c12-10(13)22-9-5-8(11(14,15)16)17-18(9)6-1-3-7(4-2-6)19(20)21/h1-5,10H
InChIKeyFBBYLNRFLVJCPV-UHFFFAOYSA-N
XLogP3.40
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(5-Methyl-2-phenylpyrazol-3-yl) 3-nitrooxypropyl carbonate
CID 56951057
5-Methoxy-3-methyl-1-phenyl-1H-pyrazole
CID 13434128
5-Methoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 22731897
3-Methoxy-5-methyl-1-phenyl-1H-pyrazole
CID 21766268
5-(Fluoromethoxy)-3-methyl-1-phenylpyrazole
CID 177853252
4-Diazonio-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-olate
CID 121215667
4-[5-(Difluoromethoxy)-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 10493920
4-(5-Methoxy-3-(trifluoromethyl)-1H-pyrazol-1-yl)aniline
CID 10682561
5-Methoxy-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
CID 10827121
4-[5-Ethoxy-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 57436894
3-Ethoxy-1-phenyl-5-(trifluoromethyl)pyrazole
CID 68624800
1-(2-Fluorophenyl)-5-methyl-3-(2,2,2-trifluoroethoxy)pyrazole
CID 71228462

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole (CID 10758230) is 5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole is O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2OC(F)F)cc1.
What is the InChIKey of 5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is FBBYLNRFLVJCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F5N3O3/c12-10(13)22-9-5-8(11(14,15)16)17-18(9)6-1-3-7(4-2-6)19(20)21/h1-5,10H.
What are the key properties of 5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole?
5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 323.18 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10758230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).