N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C10H16F3N3O — CID 103148331

IUPACN-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)c1ccnn1C
InChIInChI=1S/C10H16F3N3O/c1-14-8(9-3-5-15-16(9)2)4-6-17-7-10(11,12)13/h3,5,8,14H,4,6-7H2,1-2H3
InChIKeyJVPIMQLASMOXNR-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.65
Rot. Bonds6

About N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148331) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148331
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)c1ccnn1C
InChIInChI=1S/C10H16F3N3O/c1-14-8(9-3-5-15-16(9)2)4-6-17-7-10(11,12)13/h3,5,8,14H,4,6-7H2,1-2H3
InChIKeyJVPIMQLASMOXNR-UHFFFAOYSA-N
XLogP1.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148331) is N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNC(CCOCC(F)(F)F)c1ccnn1C.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is JVPIMQLASMOXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-14-8(9-3-5-15-16(9)2)4-6-17-7-10(11,12)13/h3,5,8,14H,4,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 251.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).