2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine

C13H16FN3 — CID 82290116

IUPAC2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
SMILESCCc1c(CCN)cnn1-c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-2-13-10(6-7-15)9-16-17(13)12-5-3-4-11(14)8-12/h3-5,8-9H,2,6-7,15H2,1H3
InChIKeyFWGCEOZYBZOPLI-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.08
Rot. Bonds4

About 2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine

2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine (PubChem CID 82290116) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
PubChem CID82290116
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
SMILESCCc1c(CCN)cnn1-c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-2-13-10(6-7-15)9-16-17(13)12-5-3-4-11(14)8-12/h3-5,8-9H,2,6-7,15H2,1H3
InChIKeyFWGCEOZYBZOPLI-UHFFFAOYSA-N
XLogP2.08
TPSA43.84 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole
CID 66437510
2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine
CID 83896480
[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
CID 66440713
4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
CID 66437732
4-(bromomethyl)-5-ethyl-1-(3-methylphenyl)pyrazole
CID 66436392
5-bromo-1-(3-fluorophenyl)pyrazol-4-amine
CID 115047672
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
[5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
CID 79200351
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440964
1-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66440761
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine (CID 82290116) is 2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine is CCc1c(CCN)cnn1-c1cccc(F)c1.
What is the InChIKey of 2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine?
The InChIKey is FWGCEOZYBZOPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-13-10(6-7-15)9-16-17(13)12-5-3-4-11(14)8-12/h3-5,8-9H,2,6-7,15H2,1H3.
What are the key properties of 2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine?
2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82290116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).