N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine

C6H6F3N3OS — CID 174324144

IUPACN-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine
SMILESCON=Cc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C6H6F3N3OS/c1-13-11-2-4-5(3-10-12-4)14-6(7,8)9/h2-3H,1H3,(H,10,12)
InChIKeyUDYLAYATYAVSBO-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.00
Rot. Bonds3

About N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine

N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine (PubChem CID 174324144) has the molecular formula C6H6F3N3OS and a molecular weight of 225.19 g/mol. Its IUPAC name is N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine.

Molecular Properties

Compound NameN-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine
PubChem CID174324144
Molecular FormulaC6H6F3N3OS
Molecular Weight225.19 g/mol
Exact Mass225.02
IUPAC NameN-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine
SMILESCON=Cc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C6H6F3N3OS/c1-13-11-2-4-5(3-10-12-4)14-6(7,8)9/h2-3H,1H3,(H,10,12)
InChIKeyUDYLAYATYAVSBO-UHFFFAOYSA-N
XLogP2.00
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine?
The IUPAC name of N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine (CID 174324144) is N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine.
What is the SMILES notation for N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine?
The canonical SMILES for N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine is CON=Cc1[nH]ncc1SC(F)(F)F.
What is the InChIKey of N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine?
The InChIKey is UDYLAYATYAVSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3OS/c1-13-11-2-4-5(3-10-12-4)14-6(7,8)9/h2-3H,1H3,(H,10,12).
What are the key properties of N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine?
N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine has a molecular weight of 225.19 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-(trifluoromethylsulfanyl)-1H-pyrazol-5-yl]methanimine is sourced from PubChem (CID 174324144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).