N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine

C13H18F3N3O — CID 62442542

IUPACN-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccn(CC2CCC(CNC3CC3)O2)n1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)12-5-6-19(18-12)8-11-4-3-10(20-11)7-17-9-1-2-9/h5-6,9-11,17H,1-4,7-8H2
InChIKeyTXFWVPOZGJHMSA-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.20
Rot. Bonds5

About N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62442542) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62442542
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccn(CC2CCC(CNC3CC3)O2)n1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)12-5-6-19(18-12)8-11-4-3-10(20-11)7-17-9-1-2-9/h5-6,9-11,17H,1-4,7-8H2
InChIKeyTXFWVPOZGJHMSA-UHFFFAOYSA-N
XLogP2.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine 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-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 62442542) is N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine is FC(F)(F)c1ccn(CC2CCC(CNC3CC3)O2)n1.
What is the InChIKey of N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is TXFWVPOZGJHMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)12-5-6-19(18-12)8-11-4-3-10(20-11)7-17-9-1-2-9/h5-6,9-11,17H,1-4,7-8H2.
What are the key properties of N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 289.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62442542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).