1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine

C11H12FN3O — CID 117230345

IUPAC1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
SMILESCNCOc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C11H12FN3O/c1-13-8-16-11-6-14-15(7-11)10-4-2-3-9(12)5-10/h2-7,13H,8H2,1H3
InChIKeyTWLSFKCKSQMEFZ-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.57
Rot. Bonds4

About 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine

1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine (PubChem CID 117230345) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
PubChem CID117230345
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
SMILESCNCOc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C11H12FN3O/c1-13-8-16-11-6-14-15(7-11)10-4-2-3-9(12)5-10/h2-7,13H,8H2,1H3
InChIKeyTWLSFKCKSQMEFZ-UHFFFAOYSA-N
XLogP1.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine 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 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine?
The IUPAC name of 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine (CID 117230345) is 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine is CNCOc1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine?
The InChIKey is TWLSFKCKSQMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-13-8-16-11-6-14-15(7-11)10-4-2-3-9(12)5-10/h2-7,13H,8H2,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine?
1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine has a molecular weight of 221.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine is sourced from PubChem (CID 117230345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).