5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole

C5H4F3N3O — CID 89032477

IUPAC5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(C(F)(F)F)c1N=O
InChIInChI=1S/C5H4F3N3O/c1-2-3(11-12)4(10-9-2)5(6,7)8/h1H3,(H,9,10)
InChIKeyFUUUYEKJSWXKOR-UHFFFAOYSA-N
MW179.10 g/mol
LogP2.13
Rot. Bonds1

About 5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole

5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 89032477) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole
PubChem CID89032477
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(C(F)(F)F)c1N=O
InChIInChI=1S/C5H4F3N3O/c1-2-3(11-12)4(10-9-2)5(6,7)8/h1H3,(H,9,10)
InChIKeyFUUUYEKJSWXKOR-UHFFFAOYSA-N
XLogP2.13
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-4-nitroso-3-(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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole (CID 89032477) is 5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole is Cc1[nH]nc(C(F)(F)F)c1N=O.
What is the InChIKey of 5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is FUUUYEKJSWXKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c1-2-3(11-12)4(10-9-2)5(6,7)8/h1H3,(H,9,10).
What are the key properties of 5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole?
5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 179.10 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitroso-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 89032477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).