3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine

C8H12F3N3 — CID 43485962

IUPAC3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)c1cnn(C)c1
InChIInChI=1S/C8H12F3N3/c1-12-7(3-8(9,10)11)6-4-13-14(2)5-6/h4-5,7,12H,3H2,1-2H3
InChIKeyXDOJWZGHPSGYHF-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.63
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine

3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 43485962) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID43485962
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)c1cnn(C)c1
InChIInChI=1S/C8H12F3N3/c1-12-7(3-8(9,10)11)6-4-13-14(2)5-6/h4-5,7,12H,3H2,1-2H3
InChIKeyXDOJWZGHPSGYHF-UHFFFAOYSA-N
XLogP1.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
rac-(1R,2S)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride
CID 91647633
rac-((1R,2R)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropyl)methanamine dihydrochloride
CID 129841821
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 43485962) is 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine is CNC(CC(F)(F)F)c1cnn(C)c1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is XDOJWZGHPSGYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-12-7(3-8(9,10)11)6-4-13-14(2)5-6/h4-5,7,12H,3H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 207.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 43485962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).