2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine

C8H12F3N3O — CID 105047293

IUPAC2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCNC(c1c(OC)cnn1C)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-12-7(8(9,10)11)6-5(15-3)4-13-14(6)2/h4,7,12H,1-3H3
InChIKeyQIJZVZDRATVQPY-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.25
Rot. Bonds3

About 2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine

2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine (PubChem CID 105047293) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
PubChem CID105047293
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCNC(c1c(OC)cnn1C)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-12-7(8(9,10)11)6-5(15-3)4-13-14(6)2/h4,7,12H,1-3H3
InChIKeyQIJZVZDRATVQPY-UHFFFAOYSA-N
XLogP1.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 114650498
1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114648782
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047085
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105047124
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
1-(4-methoxy-1-methylpyrazol-5-yl)ethylhydrazine
CID 105201324
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105186368
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 114646478
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpentan-1-amine
CID 114657456
[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105215710
N,N-diethyl-1-hydrazinyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-2-amine
CID 105239351
1-(4,4-difluorocyclohexyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105186369

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine (CID 105047293) is 2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine is CNC(c1c(OC)cnn1C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is QIJZVZDRATVQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-12-7(8(9,10)11)6-5(15-3)4-13-14(6)2/h4,7,12H,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine?
2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 223.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105047293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).