N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline

C17H15ClFN3O — CID 58727648

IUPACN-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline
SMILESCOc1ccc(Nc2ccc(Cl)cc2)cc1-c1c(F)cnn1C
InChIInChI=1S/C17H15ClFN3O/c1-22-17(15(19)10-20-22)14-9-13(7-8-16(14)23-2)21-12-5-3-11(18)4-6-12/h3-10,21H,1-2H3
InChIKeyVHRVNTMIRJWTNM-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.63
Rot. Bonds4

About N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline

N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline (PubChem CID 58727648) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline
PubChem CID58727648
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC NameN-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline
SMILESCOc1ccc(Nc2ccc(Cl)cc2)cc1-c1c(F)cnn1C
InChIInChI=1S/C17H15ClFN3O/c1-22-17(15(19)10-20-22)14-9-13(7-8-16(14)23-2)21-12-5-3-11(18)4-6-12/h3-10,21H,1-2H3
InChIKeyVHRVNTMIRJWTNM-UHFFFAOYSA-N
XLogP4.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline?
The IUPAC name of N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline (CID 58727648) is N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline is COc1ccc(Nc2ccc(Cl)cc2)cc1-c1c(F)cnn1C.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline?
The InChIKey is VHRVNTMIRJWTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c1-22-17(15(19)10-20-22)14-9-13(7-8-16(14)23-2)21-12-5-3-11(18)4-6-12/h3-10,21H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline?
N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline has a molecular weight of 331.78 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyaniline is sourced from PubChem (CID 58727648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).