2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C7H10F3N3 — CID 43663111

IUPAC2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCn1nccc1CNCC(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-13-6(2-3-12-13)4-11-5-7(8,9)10/h2-3,11H,4-5H2,1H3
InChIKeyASPLVFBRDPEBTK-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.07
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 43663111) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID43663111
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCn1nccc1CNCC(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-13-6(2-3-12-13)4-11-5-7(8,9)10/h2-3,11H,4-5H2,1H3
InChIKeyASPLVFBRDPEBTK-UHFFFAOYSA-N
XLogP1.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine 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

N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958443
N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide
CID 115749008
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958469
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115282762
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 43435289
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115702299
N-(furan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)methanamine
CID 19626581

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 43663111) is 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is Cn1nccc1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is ASPLVFBRDPEBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-13-6(2-3-12-13)4-11-5-7(8,9)10/h2-3,11H,4-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 193.17 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 43663111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).