1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine

C13H16FN3 — CID 105492900

IUPAC1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(C)c1-c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-9(15-2)12-8-16-17(3)13(12)10-5-4-6-11(14)7-10/h4-9,15H,1-3H3
InChIKeyQVDDQWGXGFHRGH-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.51
Rot. Bonds3

About 1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine

1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine (PubChem CID 105492900) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine
PubChem CID105492900
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(C)c1-c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-9(15-2)12-8-16-17(3)13(12)10-5-4-6-11(14)7-10/h4-9,15H,1-3H3
InChIKeyQVDDQWGXGFHRGH-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 83819837
5-(3-fluorophenyl)-4-isocyanato-1-methylpyrazole
CID 83917255
1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine
CID 105497256
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
5-(3-fluorophenyl)-1-methylindazole
CID 134375389
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
4-(3-fluorophenyl)-3-propan-2-ylpyridine
CID 135209944
1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 55070494
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442129
1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105149342

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine (CID 105492900) is 1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine is CNC(C)c1cnn(C)c1-c1cccc(F)c1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is QVDDQWGXGFHRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(15-2)12-8-16-17(3)13(12)10-5-4-6-11(14)7-10/h4-9,15H,1-3H3.
What are the key properties of 1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine?
1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 105492900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).