1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

C13H15F2N3 — CID 78920967

IUPAC1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccn(C)n1)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3/c1-9(12-4-3-10(14)7-13(12)15)16-8-11-5-6-18(2)17-11/h3-7,9,16H,8H2,1-2H3
InChIKeyFOENAZIWDQAXKM-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.55
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 78920967) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID78920967
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccn(C)n1)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3/c1-9(12-4-3-10(14)7-13(12)15)16-8-11-5-6-18(2)17-11/h3-7,9,16H,8H2,1-2H3
InChIKeyFOENAZIWDQAXKM-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[1-[(1-methylpyrazol-3-yl)methylamino]ethyl]phenol
CID 82882474
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43224040
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 60713896
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 107167630
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
(1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 81380918
2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207747
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82866486
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867029

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (CID 78920967) is 1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is CC(NCc1ccn(C)n1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is FOENAZIWDQAXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-9(12-4-3-10(14)7-13(12)15)16-8-11-5-6-18(2)17-11/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 78920967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).