2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine

C13H16FN3 — CID 82129028

IUPAC2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
SMILESCc1cc(-c2cc(CCN)nn2C)ccc1F
InChIInChI=1S/C13H16FN3/c1-9-7-10(3-4-12(9)14)13-8-11(5-6-15)16-17(13)2/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyIOOFRENHQCAPNW-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.04
Rot. Bonds3

About 2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine

2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine (PubChem CID 82129028) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
PubChem CID82129028
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
SMILESCc1cc(-c2cc(CCN)nn2C)ccc1F
InChIInChI=1S/C13H16FN3/c1-9-7-10(3-4-12(9)14)13-8-11(5-6-15)16-17(13)2/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyIOOFRENHQCAPNW-UHFFFAOYSA-N
XLogP2.04
TPSA43.84 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271
5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine
CID 82470102
2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82476618
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475862
2-[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]ethanamine
CID 82478930
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole
CID 155276309
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
CID 105469039
2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072157
2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
CID 62745029
[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine (CID 82129028) is 2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine is Cc1cc(-c2cc(CCN)nn2C)ccc1F.
What is the InChIKey of 2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine?
The InChIKey is IOOFRENHQCAPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-7-10(3-4-12(9)14)13-8-11(5-6-15)16-17(13)2/h3-4,7-8H,5-6,15H2,1-2H3.
What are the key properties of 2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine?
2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine is sourced from PubChem (CID 82129028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).