N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine

C14H17F2N3 — CID 105143642

IUPACN-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)c1cc(C)nn1C
InChIInChI=1S/C14H17F2N3/c1-4-17-14(13-7-9(2)18-19(13)3)11-6-5-10(15)8-12(11)16/h5-8,14,17H,4H2,1-3H3
InChIKeyVDEQBIVQLGVURS-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.71
Rot. Bonds4

About N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine

N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 105143642) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
PubChem CID105143642
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)c1cc(C)nn1C
InChIInChI=1S/C14H17F2N3/c1-4-17-14(13-7-9(2)18-19(13)3)11-6-5-10(15)8-12(11)16/h5-8,14,17H,4H2,1-3H3
InChIKeyVDEQBIVQLGVURS-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142391
N-[(2,5-dimethylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146439
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176495
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
N-[(2,5-dimethylpyrazol-3-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093278
N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105140922
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377494
N-[(2,6-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105188698
N-[(2,4-difluorophenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687635
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (CID 105143642) is N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccc(F)cc1F)c1cc(C)nn1C.
What is the InChIKey of N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is VDEQBIVQLGVURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-4-17-14(13-7-9(2)18-19(13)3)11-6-5-10(15)8-12(11)16/h5-8,14,17H,4H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105143642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).