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

C5H4F3N3 — CID 146406292

IUPACN-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine
SMILESC=Nc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3/c1-9-4-3(2-10-11-4)5(6,7)8/h2H,1H2,(H,10,11)
InChIKeyOFIRYNAHKYKGLJ-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.76
Rot. Bonds1

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

N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine (PubChem CID 146406292) has the molecular formula C5H4F3N3 and a molecular weight of 163.10 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine
PubChem CID146406292
Molecular FormulaC5H4F3N3
Molecular Weight163.10 g/mol
Exact Mass163.04
IUPAC NameN-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine
SMILESC=Nc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3/c1-9-4-3(2-10-11-4)5(6,7)8/h2H,1H2,(H,10,11)
InChIKeyOFIRYNAHKYKGLJ-UHFFFAOYSA-N
XLogP1.76
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine?
The IUPAC name of N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine (CID 146406292) is N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine.
What is the SMILES notation for N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine?
The canonical SMILES for N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine is C=Nc1[nH]ncc1C(F)(F)F.
What is the InChIKey of N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine?
The InChIKey is OFIRYNAHKYKGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3/c1-9-4-3(2-10-11-4)5(6,7)8/h2H,1H2,(H,10,11).
What are the key properties of N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine?
N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine has a molecular weight of 163.10 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanimine is sourced from PubChem (CID 146406292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).