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

C19H20FN3 — CID 155529535

IUPAC1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine
SMILESCc1nn(-c2ccc(C(C)N)cc2)c(C)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN3/c1-12(21)15-6-10-18(11-7-15)23-14(3)19(13(2)22-23)16-4-8-17(20)9-5-16/h4-12H,21H2,1-3H3
InChIKeyWARYAFWYBKQQJD-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.31
Rot. Bonds3

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

1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine (PubChem CID 155529535) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine
PubChem CID155529535
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine
SMILESCc1nn(-c2ccc(C(C)N)cc2)c(C)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN3/c1-12(21)15-6-10-18(11-7-15)23-14(3)19(13(2)22-23)16-4-8-17(20)9-5-16/h4-12H,21H2,1-3H3
InChIKeyWARYAFWYBKQQJD-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine (CID 155529535) is 1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine is Cc1nn(-c2ccc(C(C)N)cc2)c(C)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine?
The InChIKey is WARYAFWYBKQQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-12(21)15-6-10-18(11-7-15)23-14(3)19(13(2)22-23)16-4-8-17(20)9-5-16/h4-12H,21H2,1-3H3.
What are the key properties of 1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine?
1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine has a molecular weight of 309.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine is sourced from PubChem (CID 155529535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).