1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine

C13H15F2N3 — CID 105149342

IUPAC1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCNC(c1cnn(C)c1C)c1c(F)cccc1F
InChIInChI=1S/C13H15F2N3/c1-8-9(7-17-18(8)3)13(16-2)12-10(14)5-4-6-11(12)15/h4-7,13,16H,1-3H3
InChIKeyKOBYYAGZWPQNEF-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.32
Rot. Bonds3

About 1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine

1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 105149342) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID105149342
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCNC(c1cnn(C)c1C)c1c(F)cccc1F
InChIInChI=1S/C13H15F2N3/c1-8-9(7-17-18(8)3)13(16-2)12-10(14)5-4-6-11(12)15/h4-7,13,16H,1-3H3
InChIKeyKOBYYAGZWPQNEF-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291427
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105150503
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149963
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919
1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 79522798
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 79583531
1-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712535
[(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105301848

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine (CID 105149342) is 1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine is CNC(c1cnn(C)c1C)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is KOBYYAGZWPQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8-9(7-17-18(8)3)13(16-2)12-10(14)5-4-6-11(12)15/h4-7,13,16H,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 105149342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).