2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine

C9H12F3N3 — CID 155082616

IUPAC2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine
SMILESC/N=C/Cc1c(C(F)(F)F)nn(C)c1C
InChIInChI=1S/C9H12F3N3/c1-6-7(4-5-13-2)8(9(10,11)12)14-15(6)3/h5H,4H2,1-3H3/b13-5+
InChIKeyFRNVMOFBMIOCOJ-WLRTZDKTSA-N
MW219.21 g/mol
LogP1.99
Rot. Bonds2

About 2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine

2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine (PubChem CID 155082616) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine.

Molecular Properties

Compound Name2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine
PubChem CID155082616
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine
SMILESC/N=C/Cc1c(C(F)(F)F)nn(C)c1C
InChIInChI=1S/C9H12F3N3/c1-6-7(4-5-13-2)8(9(10,11)12)14-15(6)3/h5H,4H2,1-3H3/b13-5+
InChIKeyFRNVMOFBMIOCOJ-WLRTZDKTSA-N
XLogP1.99
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 59196731
1,5-dimethyl-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 70851916
4-(2-bromoethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 85100558
4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 85151240
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfonic acid;hydrochloride
CID 174268218
4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine
CID 119068697
[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 1476999
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 19754695
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 86629852
[1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 82482177
[5-fluoro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl thiohypoiodite
CID 166141248
4-(bromomethyl)-5-(2-methoxyethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
CID 68959861

Frequently Asked Questions

What is the IUPAC name of 2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine?
The IUPAC name of 2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine (CID 155082616) is 2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine.
What is the SMILES notation for 2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine?
The canonical SMILES for 2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine is C/N=C/Cc1c(C(F)(F)F)nn(C)c1C.
What is the InChIKey of 2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine?
The InChIKey is FRNVMOFBMIOCOJ-WLRTZDKTSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-7(4-5-13-2)8(9(10,11)12)14-15(6)3/h5H,4H2,1-3H3/b13-5+.
What are the key properties of 2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine?
2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine has a molecular weight of 219.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylethanimine is sourced from PubChem (CID 155082616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).