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

C23H23F2N5 — CID 45204678

IUPAC1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCc1cc(-n2cccn2)ccc1CNC(C)c1cnn(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C23H23F2N5/c1-15-11-20(29-10-4-9-27-29)7-5-18(15)13-26-16(2)21-14-28-30(17(21)3)23-8-6-19(24)12-22(23)25/h4-12,14,16,26H,13H2,1-3H3
InChIKeyZIEVHZGETWEXBQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.80
Rot. Bonds6

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

1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine (PubChem CID 45204678) has the molecular formula C23H23F2N5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine
PubChem CID45204678
Molecular FormulaC23H23F2N5
Molecular Weight407.47 g/mol
Exact Mass407.19
IUPAC Name1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCc1cc(-n2cccn2)ccc1CNC(C)c1cnn(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C23H23F2N5/c1-15-11-20(29-10-4-9-27-29)7-5-18(15)13-26-16(2)21-14-28-30(17(21)3)23-8-6-19(24)12-22(23)25/h4-12,14,16,26H,13H2,1-3H3
InChIKeyZIEVHZGETWEXBQ-UHFFFAOYSA-N
XLogP4.80
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine (CID 45204678) is 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine is Cc1cc(-n2cccn2)ccc1CNC(C)c1cnn(-c2ccc(F)cc2F)c1C.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is ZIEVHZGETWEXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5/c1-15-11-20(29-10-4-9-27-29)7-5-18(15)13-26-16(2)21-14-28-30(17(21)3)23-8-6-19(24)12-22(23)25/h4-12,14,16,26H,13H2,1-3H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine?
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 407.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 45204678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).