1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine

C15H20FN3 — CID 62488844

IUPAC1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1-n1ccc(C(C)C)n1
InChIInChI=1S/C15H20FN3/c1-10(2)14-7-8-19(18-14)15-6-5-12(16)9-13(15)11(3)17-4/h5-11,17H,1-4H3
InChIKeySUVCJWVLPDITHR-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.42
Rot. Bonds4

About 1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine

1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine (PubChem CID 62488844) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine
PubChem CID62488844
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1-n1ccc(C(C)C)n1
InChIInChI=1S/C15H20FN3/c1-10(2)14-7-8-19(18-14)15-6-5-12(16)9-13(15)11(3)17-4/h5-11,17H,1-4H3
InChIKeySUVCJWVLPDITHR-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine 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-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine (CID 62488844) is 1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine is CNC(C)c1cc(F)ccc1-n1ccc(C(C)C)n1.
What is the InChIKey of 1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine?
The InChIKey is SUVCJWVLPDITHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10(2)14-7-8-19(18-14)15-6-5-12(16)9-13(15)11(3)17-4/h5-11,17H,1-4H3.
What are the key properties of 1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine?
1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 62488844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).