N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine

C22H25F2N3O — CID 70733299

IUPACN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C
InChIInChI=1S/C22H25F2N3O/c1-4-26(11-12-28-3)14-17-15-27(21-10-9-18(23)13-20(21)24)25-22(17)19-8-6-5-7-16(19)2/h5-10,13,15H,4,11-12,14H2,1-3H3
InChIKeyXRAMNXRWYRXTDR-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.59
Rot. Bonds8

About N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine

N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine (PubChem CID 70733299) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine
PubChem CID70733299
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C
InChIInChI=1S/C22H25F2N3O/c1-4-26(11-12-28-3)14-17-15-27(21-10-9-18(23)13-20(21)24)25-22(17)19-8-6-5-7-16(19)2/h5-10,13,15H,4,11-12,14H2,1-3H3
InChIKeyXRAMNXRWYRXTDR-UHFFFAOYSA-N
XLogP4.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine (CID 70733299) is N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine is CCN(CCOC)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
The InChIKey is XRAMNXRWYRXTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-4-26(11-12-28-3)14-17-15-27(21-10-9-18(23)13-20(21)24)25-22(17)19-8-6-5-7-16(19)2/h5-10,13,15H,4,11-12,14H2,1-3H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine?
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine has a molecular weight of 385.46 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 70733299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).