1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine

C6H6F3N3 — CID 146220883

IUPAC1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine
SMILES[H]/N=C(\C)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H6F3N3/c1-3(10)4-2-5(12-11-4)6(7,8)9/h2,10H,1H3,(H,11,12)/b10-3+
InChIKeyUNDCSRYJFYZDLM-XCVCLJGOSA-N
MW177.13 g/mol
LogP1.82
Rot. Bonds1

About 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine

1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine (PubChem CID 146220883) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine
PubChem CID146220883
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine
SMILES[H]/N=C(\C)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H6F3N3/c1-3(10)4-2-5(12-11-4)6(7,8)9/h2,10H,1H3,(H,11,12)/b10-3+
InChIKeyUNDCSRYJFYZDLM-XCVCLJGOSA-N
XLogP1.82
TPSA52.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.82
H-Bond Donors ≤ 52
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 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine (CID 146220883) is 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine is [H]/N=C(\C)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine?
The InChIKey is UNDCSRYJFYZDLM-XCVCLJGOSA-N. The full InChI is InChI=1S/C6H6F3N3/c1-3(10)4-2-5(12-11-4)6(7,8)9/h2,10H,1H3,(H,11,12)/b10-3+.
What are the key properties of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine?
1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine has a molecular weight of 177.13 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanimine is sourced from PubChem (CID 146220883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).