1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine

C13H16FN3 — CID 115858560

IUPAC1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
SMILESCNC(c1cc(C)ccc1F)c1ccnn1C
InChIInChI=1S/C13H16FN3/c1-9-4-5-11(14)10(8-9)13(15-2)12-6-7-16-17(12)3/h4-8,13,15H,1-3H3
InChIKeyQUJTYGFGYPRYNK-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.18
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine

1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 115858560) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID115858560
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
SMILESCNC(c1cc(C)ccc1F)c1ccnn1C
InChIInChI=1S/C13H16FN3/c1-9-4-5-11(14)10(8-9)13(15-2)12-6-7-16-17(12)3/h4-8,13,15H,1-3H3
InChIKeyQUJTYGFGYPRYNK-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858423
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63961194
1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962440
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038680
N-[(2-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858593
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200840
N-[(2,4-difluoro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858665
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107291694
N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102841118
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 102803721
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858881
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962023

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (CID 115858560) is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine is CNC(c1cc(C)ccc1F)c1ccnn1C.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is QUJTYGFGYPRYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-4-5-11(14)10(8-9)13(15-2)12-6-7-16-17(12)3/h4-8,13,15H,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115858560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).