1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine

C9H14F3N3 — CID 112671170

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCCc1nn(C)cc1C(NC)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-4-7-6(5-15(3)14-7)8(13-2)9(10,11)12/h5,8,13H,4H2,1-3H3
InChIKeyXMIHMDZFTRDUFL-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.81
Rot. Bonds3

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine

1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 112671170) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID112671170
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCCc1nn(C)cc1C(NC)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-4-7-6(5-15(3)14-7)8(13-2)9(10,11)12/h5,8,13H,4H2,1-3H3
InChIKeyXMIHMDZFTRDUFL-UHFFFAOYSA-N
XLogP1.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-dimethylpropyl]hydrazine
CID 102813091
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 102812485
1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 102812002
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
CID 102812579
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 102812318
1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102812258
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanamine
CID 112671176
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
CID 102812096
1-cyclohexyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102811927
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
CID 112671468

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine (CID 112671170) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine is CCc1nn(C)cc1C(NC)C(F)(F)F.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is XMIHMDZFTRDUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-4-7-6(5-15(3)14-7)8(13-2)9(10,11)12/h5,8,13H,4H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 221.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 112671170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).