1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine

C19H20FN3O2 — CID 126456909

IUPAC1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCOc1ccc(CNCc2cn[nH]c2-c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C19H20FN3O2/c1-24-17-8-5-14(18(9-17)25-2)10-21-11-15-12-22-23-19(15)13-3-6-16(20)7-4-13/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)
InChIKeyKUYIQJVGEGMAFR-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.52
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine

1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine (PubChem CID 126456909) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
PubChem CID126456909
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCOc1ccc(CNCc2cn[nH]c2-c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C19H20FN3O2/c1-24-17-8-5-14(18(9-17)25-2)10-21-11-15-12-22-23-19(15)13-3-6-16(20)7-4-13/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)
InChIKeyKUYIQJVGEGMAFR-UHFFFAOYSA-N
XLogP3.52
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine 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-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine (CID 126456909) is 1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine is COc1ccc(CNCc2cn[nH]c2-c2ccc(F)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The InChIKey is KUYIQJVGEGMAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-24-17-8-5-14(18(9-17)25-2)10-21-11-15-12-22-23-19(15)13-3-6-16(20)7-4-13/h3-9,12,21H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine has a molecular weight of 341.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 126456909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).