ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate

C7H8F3N3O2S — CID 154320449

IUPACethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate
SMILESCCOC(=O)Nc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c1-2-15-6(14)12-5-4(3-11-13-5)16-7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKeySQDMZRWUOFZLIW-UHFFFAOYSA-N
MW255.22 g/mol
LogP2.59
Rot. Bonds3

About ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate

ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate (PubChem CID 154320449) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate
PubChem CID154320449
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC Nameethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate
SMILESCCOC(=O)Nc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c1-2-15-6(14)12-5-4(3-11-13-5)16-7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKeySQDMZRWUOFZLIW-UHFFFAOYSA-N
XLogP2.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate 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 ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate?
The IUPAC name of ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate (CID 154320449) is ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate.
What is the SMILES notation for ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate?
The canonical SMILES for ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate is CCOC(=O)Nc1[nH]ncc1SC(F)(F)F.
What is the InChIKey of ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate?
The InChIKey is SQDMZRWUOFZLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c1-2-15-6(14)12-5-4(3-11-13-5)16-7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate?
ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate has a molecular weight of 255.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]carbamate is sourced from PubChem (CID 154320449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).