5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole

C10H6ClF2N3O2 — CID 118531698

IUPAC5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole
SMILESO=Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H6ClF2N3O2/c11-5-1-2-8(18-10(12)13)6(3-5)9-7(16-17)4-14-15-9/h1-4,10H,(H,14,15)
InChIKeyLTNAUXLLSWMYBN-UHFFFAOYSA-N
MW273.63 g/mol
LogP3.73
Rot. Bonds4

About 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole

5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole (PubChem CID 118531698) has the molecular formula C10H6ClF2N3O2 and a molecular weight of 273.63 g/mol. Its IUPAC name is 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole.

Molecular Properties

Compound Name5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole
PubChem CID118531698
Molecular FormulaC10H6ClF2N3O2
Molecular Weight273.63 g/mol
Exact Mass273.01
IUPAC Name5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole
SMILESO=Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H6ClF2N3O2/c11-5-1-2-8(18-10(12)13)6(3-5)9-7(16-17)4-14-15-9/h1-4,10H,(H,14,15)
InChIKeyLTNAUXLLSWMYBN-UHFFFAOYSA-N
XLogP3.73
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.63
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 4-amino-5-(o-methoxyphenyl)-, hydrochloride
CID 13303418
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
4-chloro-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 61394913
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitro-1H-pyrazole
CID 130358991
5-[2-(difluoromethoxy)-5-methylphenyl]-4-nitro-1H-pyrazole
CID 142427567
[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenoxy]methanamine
CID 144448927
[4-Amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite
CID 144962737
5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-amine
CID 146201463
1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
CID 150000660
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole
CID 150642555
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole
CID 154218730
5-[5-chloro-2-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazol-4-amine
CID 166969096

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole?
The IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole (CID 118531698) is 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole.
What is the SMILES notation for 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole?
The canonical SMILES for 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole is O=Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole?
The InChIKey is LTNAUXLLSWMYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3O2/c11-5-1-2-8(18-10(12)13)6(3-5)9-7(16-17)4-14-15-9/h1-4,10H,(H,14,15).
What are the key properties of 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole?
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole has a molecular weight of 273.63 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole is sourced from PubChem (CID 118531698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).