N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C11H16F3N3O — CID 106210900

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOc1c(CNC2(C(F)(F)F)CC2)c(C)nn1C
InChIInChI=1S/C11H16F3N3O/c1-7-8(9(18-3)17(2)16-7)6-15-10(4-5-10)11(12,13)14/h15H,4-6H2,1-3H3
InChIKeyATMBBAODGUSRJJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.92
Rot. Bonds4

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210900) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210900
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOc1c(CNC2(C(F)(F)F)CC2)c(C)nn1C
InChIInChI=1S/C11H16F3N3O/c1-7-8(9(18-3)17(2)16-7)6-15-10(4-5-10)11(12,13)14/h15H,4-6H2,1-3H3
InChIKeyATMBBAODGUSRJJ-UHFFFAOYSA-N
XLogP1.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-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-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210900) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is COc1c(CNC2(C(F)(F)F)CC2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is ATMBBAODGUSRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7-8(9(18-3)17(2)16-7)6-15-10(4-5-10)11(12,13)14/h15H,4-6H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).