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

C9H6F3N3OS — CID 162673476

IUPAC1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)c(N=O)c1-c1cccs1
InChIInChI=1S/C9H6F3N3OS/c1-15-7(5-3-2-4-17-5)6(14-16)8(13-15)9(10,11)12/h2-4H,1H3
InChIKeyOGKCZHPNXNCUKO-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.57
Rot. Bonds2

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

1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 162673476) has the molecular formula C9H6F3N3OS and a molecular weight of 261.23 g/mol. Its IUPAC name is 1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID162673476
Molecular FormulaC9H6F3N3OS
Molecular Weight261.23 g/mol
Exact Mass261.02
IUPAC Name1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)c(N=O)c1-c1cccs1
InChIInChI=1S/C9H6F3N3OS/c1-15-7(5-3-2-4-17-5)6(14-16)8(13-15)9(10,11)12/h2-4H,1H3
InChIKeyOGKCZHPNXNCUKO-UHFFFAOYSA-N
XLogP3.57
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (CID 162673476) is 1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)c(N=O)c1-c1cccs1.
What is the InChIKey of 1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is OGKCZHPNXNCUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3OS/c1-15-7(5-3-2-4-17-5)6(14-16)8(13-15)9(10,11)12/h2-4H,1H3.
What are the key properties of 1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 261.23 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 162673476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).