4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole

C8H4F3N3OS — CID 162643219

IUPAC4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESO=Nc1c(-c2cccs2)n[nH]c1C(F)(F)F
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)7-6(14-15)5(12-13-7)4-2-1-3-16-4/h1-3H,(H,12,13)
InChIKeyPSTRWPULMUETGX-UHFFFAOYSA-N
MW247.20 g/mol
LogP3.55
Rot. Bonds2

About 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole

4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 162643219) has the molecular formula C8H4F3N3OS and a molecular weight of 247.20 g/mol. Its IUPAC name is 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID162643219
Molecular FormulaC8H4F3N3OS
Molecular Weight247.20 g/mol
Exact Mass247.00
IUPAC Name4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESO=Nc1c(-c2cccs2)n[nH]c1C(F)(F)F
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)7-6(14-15)5(12-13-7)4-2-1-3-16-4/h1-3H,(H,12,13)
InChIKeyPSTRWPULMUETGX-UHFFFAOYSA-N
XLogP3.55
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole
CID 612732
5-(Thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155896415
3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
CID 162666140
1-Methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 162673476
N-methyl-N-[[3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]methanamine
CID 279929
N,N,N'-trimethyl-N'-[[3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]ethane-1,2-diamine
CID 279932
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
4-methyl-5-(2-thienyl)-3-(trifluoromethyl)-1H-pyrazole
CID 22288390
5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole
CID 123928719
5-fluoro-3-thiophen-2-yl-1H-pyrazole
CID 143883321
5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-amine
CID 144338853
methane;3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 158485557

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole (CID 162643219) is 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole is O=Nc1c(-c2cccs2)n[nH]c1C(F)(F)F.
What is the InChIKey of 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is PSTRWPULMUETGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3OS/c9-8(10,11)7-6(14-15)5(12-13-7)4-2-1-3-16-4/h1-3H,(H,12,13).
What are the key properties of 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 247.20 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 162643219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).