1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine

C13H15ClFN3 — CID 79149820

IUPAC1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(-c2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C13H15ClFN3/c1-8(16-3)11-7-17-18(9(11)2)10-4-5-12(14)13(15)6-10/h4-8,16H,1-3H3
InChIKeyPEFRGOIVELJLIU-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.25
Rot. Bonds3

About 1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine

1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine (PubChem CID 79149820) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
PubChem CID79149820
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(-c2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C13H15ClFN3/c1-8(16-3)11-7-17-18(9(11)2)10-4-5-12(14)13(15)6-10/h4-8,16H,1-3H3
InChIKeyPEFRGOIVELJLIU-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-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-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine (CID 79149820) is 1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine is CNC(C)c1cnn(-c2ccc(Cl)c(F)c2)c1C.
What is the InChIKey of 1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is PEFRGOIVELJLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-8(16-3)11-7-17-18(9(11)2)10-4-5-12(14)13(15)6-10/h4-8,16H,1-3H3.
What are the key properties of 1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 267.74 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79149820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).