N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine

C12H19F3N4O — CID 122166322

IUPACN-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCn1nc(C(F)(F)F)cc1CNCCN1CCOCC1
InChIInChI=1S/C12H19F3N4O/c1-18-10(8-11(17-18)12(13,14)15)9-16-2-3-19-4-6-20-7-5-19/h8,16H,2-7,9H2,1H3
InChIKeyAOZXOBUTEMASSI-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.86
Rot. Bonds5

About N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine

N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 122166322) has the molecular formula C12H19F3N4O and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID122166322
Molecular FormulaC12H19F3N4O
Molecular Weight292.30 g/mol
Exact Mass292.15
IUPAC NameN-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCn1nc(C(F)(F)F)cc1CNCCN1CCOCC1
InChIInChI=1S/C12H19F3N4O/c1-18-10(8-11(17-18)12(13,14)15)9-16-2-3-19-4-6-20-7-5-19/h8,16H,2-7,9H2,1H3
InChIKeyAOZXOBUTEMASSI-UHFFFAOYSA-N
XLogP0.86
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine (CID 122166322) is N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine is Cn1nc(C(F)(F)F)cc1CNCCN1CCOCC1.
What is the InChIKey of N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is AOZXOBUTEMASSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-18-10(8-11(17-18)12(13,14)15)9-16-2-3-19-4-6-20-7-5-19/h8,16H,2-7,9H2,1H3.
What are the key properties of N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 292.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 122166322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).