2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

C15H19F2N3 — CID 105117177

IUPAC2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(C(Cc2ccc(F)cc2F)NC)n(C)n1
InChIInChI=1S/C15H19F2N3/c1-4-12-9-15(20(3)19-12)14(18-2)7-10-5-6-11(16)8-13(10)17/h5-6,8-9,14,18H,4,7H2,1-3H3
InChIKeyCUDQRKRQOAIBDW-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.76
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (PubChem CID 105117177) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
PubChem CID105117177
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(C(Cc2ccc(F)cc2F)NC)n(C)n1
InChIInChI=1S/C15H19F2N3/c1-4-12-9-15(20(3)19-12)14(18-2)7-10-5-6-11(16)8-13(10)17/h5-6,8-9,14,18H,4,7H2,1-3H3
InChIKeyCUDQRKRQOAIBDW-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3-diethylpyrazol-5-yl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105291835
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105190505
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846
2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105174518
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131290
2-(2-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105086935
2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105139407
2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
CID 82730771
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687616
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 105165261

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (CID 105117177) is 2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is CCc1cc(C(Cc2ccc(F)cc2F)NC)n(C)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is CUDQRKRQOAIBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-12-9-15(20(3)19-12)14(18-2)7-10-5-6-11(16)8-13(10)17/h5-6,8-9,14,18H,4,7H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 279.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105117177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).