1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine

C20H21F2N3O — CID 45211210

IUPAC1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cnn(-c3ccc(F)cc3F)c2C)cc1
InChIInChI=1S/C20H21F2N3O/c1-13(23-11-15-4-7-17(26-3)8-5-15)18-12-24-25(14(18)2)20-9-6-16(21)10-19(20)22/h4-10,12-13,23H,11H2,1-3H3
InChIKeyYPMHBOSAQQCOHO-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.32
Rot. Bonds6

About 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine

1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 45211210) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID45211210
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cnn(-c3ccc(F)cc3F)c2C)cc1
InChIInChI=1S/C20H21F2N3O/c1-13(23-11-15-4-7-17(26-3)8-5-15)18-12-24-25(14(18)2)20-9-6-16(21)10-19(20)22/h4-10,12-13,23H,11H2,1-3H3
InChIKeyYPMHBOSAQQCOHO-UHFFFAOYSA-N
XLogP4.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine 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-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine (CID 45211210) is 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNC(C)c2cnn(-c3ccc(F)cc3F)c2C)cc1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is YPMHBOSAQQCOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c1-13(23-11-15-4-7-17(26-3)8-5-15)18-12-24-25(14(18)2)20-9-6-16(21)10-19(20)22/h4-10,12-13,23H,11H2,1-3H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine?
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 357.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 45211210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).