4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline

C17H16FN3O — CID 168964683

IUPAC4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline
SMILESCOc1cc(N)c(-c2ccn(C)n2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c1-21-8-7-16(20-21)14-9-13(17(22-2)10-15(14)19)11-3-5-12(18)6-4-11/h3-10H,19H2,1-2H3
InChIKeyFSTHFGBAJHQQDB-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.48
Rot. Bonds3

About 4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline

4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline (PubChem CID 168964683) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline
PubChem CID168964683
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline
SMILESCOc1cc(N)c(-c2ccn(C)n2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c1-21-8-7-16(20-21)14-9-13(17(22-2)10-15(14)19)11-3-5-12(18)6-4-11/h3-10H,19H2,1-2H3
InChIKeyFSTHFGBAJHQQDB-UHFFFAOYSA-N
XLogP3.48
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline?
The IUPAC name of 4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline (CID 168964683) is 4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline?
The canonical SMILES for 4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline is COc1cc(N)c(-c2ccn(C)n2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline?
The InChIKey is FSTHFGBAJHQQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-21-8-7-16(20-21)14-9-13(17(22-2)10-15(14)19)11-3-5-12(18)6-4-11/h3-10H,19H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline?
4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline has a molecular weight of 297.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline is sourced from PubChem (CID 168964683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).