4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine

C21H24FN3O — CID 121417972

IUPAC4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine
SMILESCC(N)C(Cc1ccc(F)cc1)OC(c1ccccc1)c1ccnn1C
InChIInChI=1S/C21H24FN3O/c1-15(23)20(14-16-8-10-18(22)11-9-16)26-21(17-6-4-3-5-7-17)19-12-13-24-25(19)2/h3-13,15,20-21H,14,23H2,1-2H3
InChIKeyPYJNDAUTHNCSBO-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.62
Rot. Bonds7

About 4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine

4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine (PubChem CID 121417972) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine
PubChem CID121417972
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine
SMILESCC(N)C(Cc1ccc(F)cc1)OC(c1ccccc1)c1ccnn1C
InChIInChI=1S/C21H24FN3O/c1-15(23)20(14-16-8-10-18(22)11-9-16)26-21(17-6-4-3-5-7-17)19-12-13-24-25(19)2/h3-13,15,20-21H,14,23H2,1-2H3
InChIKeyPYJNDAUTHNCSBO-UHFFFAOYSA-N
XLogP3.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine (CID 121417972) is 4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine is CC(N)C(Cc1ccc(F)cc1)OC(c1ccccc1)c1ccnn1C.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine?
The InChIKey is PYJNDAUTHNCSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-15(23)20(14-16-8-10-18(22)11-9-16)26-21(17-6-4-3-5-7-17)19-12-13-24-25(19)2/h3-13,15,20-21H,14,23H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine?
4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine has a molecular weight of 353.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine is sourced from PubChem (CID 121417972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).