2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine

C13H15F2N3 — CID 63963304

IUPAC2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccnn1C
InChIInChI=1S/C13H15F2N3/c1-16-12(13-3-4-17-18(13)2)7-9-5-10(14)8-11(15)6-9/h3-6,8,12,16H,7H2,1-2H3
InChIKeyVKKTXRMFHWVXKK-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.20
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine

2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 63963304) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID63963304
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccnn1C
InChIInChI=1S/C13H15F2N3/c1-16-12(13-3-4-17-18(13)2)7-9-5-10(14)8-11(15)6-9/h3-6,8,12,16H,7H2,1-2H3
InChIKeyVKKTXRMFHWVXKK-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960987
3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
N-methyl-1-(2-methylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159617
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105172203
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 82806793
[2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105212589
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105180440
N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine
CID 105112715
[2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 103044165
5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105174485
(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963313
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (CID 63963304) is 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is CNC(Cc1cc(F)cc(F)c1)c1ccnn1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is VKKTXRMFHWVXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-16-12(13-3-4-17-18(13)2)7-9-5-10(14)8-11(15)6-9/h3-6,8,12,16H,7H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63963304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).