[4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite

C10H7ClF3N3OS — CID 144962737

IUPAC[4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite
SMILESNc1cnn(SF)c1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H7ClF3N3OS/c11-5-1-2-8(18-10(12)13)6(3-5)9-7(15)4-16-17(9)19-14/h1-4,10H,15H2
InChIKeyGBCFAPRRUKNGKJ-UHFFFAOYSA-N
MW309.70 g/mol
LogP3.77
Rot. Bonds4

About [4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite

[4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite (PubChem CID 144962737) has the molecular formula C10H7ClF3N3OS and a molecular weight of 309.70 g/mol. Its IUPAC name is [4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite
PubChem CID144962737
Molecular FormulaC10H7ClF3N3OS
Molecular Weight309.70 g/mol
Exact Mass309.00
IUPAC Name[4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite
SMILESNc1cnn(SF)c1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H7ClF3N3OS/c11-5-1-2-8(18-10(12)13)6(3-5)9-7(15)4-16-17(9)19-14/h1-4,10H,15H2
InChIKeyGBCFAPRRUKNGKJ-UHFFFAOYSA-N
XLogP3.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole
CID 118531698
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]formamide
CID 88849903
N-[3-(5-chloro-2-methoxyphenyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]pyrazol-4-yl]formamide
CID 88849908
1-(3-Aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine
CID 118522326
3-[5-Chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine
CID 118522788
5-(5-chloro-2-difluoromethoxyphenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazol-4-ylamine
CID 123143092
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitro-1H-pyrazole
CID 130358991
[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenoxy]methanamine
CID 144448927
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

Frequently Asked Questions

What is the IUPAC name of [4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite?
The IUPAC name of [4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite (CID 144962737) is [4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite.
What is the SMILES notation for [4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite?
The canonical SMILES for [4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite is Nc1cnn(SF)c1-c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of [4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite?
The InChIKey is GBCFAPRRUKNGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3OS/c11-5-1-2-8(18-10(12)13)6(3-5)9-7(15)4-16-17(9)19-14/h1-4,10H,15H2.
What are the key properties of [4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite?
[4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite has a molecular weight of 309.70 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite is sourced from PubChem (CID 144962737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).