1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C13H16FN3 — CID 43663310

IUPAC1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccnn1C)c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-10(11-4-3-5-12(14)8-11)15-9-13-6-7-16-17(13)2/h3-8,10,15H,9H2,1-2H3
InChIKeyZGQVLZGHTUMXJP-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.41
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 43663310) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID43663310
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccnn1C)c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-10(11-4-3-5-12(14)8-11)15-9-13-6-7-16-17(13)2/h3-8,10,15H,9H2,1-2H3
InChIKeyZGQVLZGHTUMXJP-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 82885094
1-(2-chloro-4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63301995
2-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 103014694
1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 60927610
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81365622

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 43663310) is 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is CC(NCc1ccnn1C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is ZGQVLZGHTUMXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10(11-4-3-5-12(14)8-11)15-9-13-6-7-16-17(13)2/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 43663310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).