2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine

C13H16FN3 — CID 105492843

IUPAC2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(-c2ccc(F)cc2)c1CCN
InChIInChI=1S/C13H16FN3/c1-9-12(7-8-15)13(17(2)16-9)10-3-5-11(14)6-4-10/h3-6H,7-8,15H2,1-2H3
InChIKeyYNCSFTHTZFHCCG-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.04
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine

2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine (PubChem CID 105492843) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine
PubChem CID105492843
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(-c2ccc(F)cc2)c1CCN
InChIInChI=1S/C13H16FN3/c1-9-12(7-8-15)13(17(2)16-9)10-3-5-11(14)6-4-10/h3-6H,7-8,15H2,1-2H3
InChIKeyYNCSFTHTZFHCCG-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

4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474028
2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 87734412
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine
CID 63757028
4-ethyl-1,3-dimethyl-5-phenylpyrazole
CID 70791504
4-ethyl-5-(4-fluorophenyl)-1-methylpyrazole-3-carbaldehyde
CID 146448044
2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine
CID 63802598
2-[2-[2-(4-fluorophenyl)propan-2-yl]-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 64767992
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806
ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate
CID 68709761
(E)-3-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 69205590

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine (CID 105492843) is 2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine is Cc1nn(C)c(-c2ccc(F)cc2)c1CCN.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is YNCSFTHTZFHCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-12(7-8-15)13(17(2)16-9)10-3-5-11(14)6-4-10/h3-6H,7-8,15H2,1-2H3.
What are the key properties of 2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine?
2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-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-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 105492843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).