N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide

C26H24FN3O3 — CID 46042530

IUPACN-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
SMILESCOc1ccc(-n2nc(C)c(CCC(=O)Nc3ccc(F)cc3)c2Oc2ccccc2)cc1
InChIInChI=1S/C26H24FN3O3/c1-18-24(16-17-25(31)28-20-10-8-19(27)9-11-20)26(33-23-6-4-3-5-7-23)30(29-18)21-12-14-22(32-2)15-13-21/h3-15H,16-17H2,1-2H3,(H,28,31)
InChIKeyJHWIXPPLMZSEMS-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.69
Rot. Bonds8

About N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide

N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide (PubChem CID 46042530) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
PubChem CID46042530
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC NameN-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
SMILESCOc1ccc(-n2nc(C)c(CCC(=O)Nc3ccc(F)cc3)c2Oc2ccccc2)cc1
InChIInChI=1S/C26H24FN3O3/c1-18-24(16-17-25(31)28-20-10-8-19(27)9-11-20)26(33-23-6-4-3-5-7-23)30(29-18)21-12-14-22(32-2)15-13-21/h3-15H,16-17H2,1-2H3,(H,28,31)
InChIKeyJHWIXPPLMZSEMS-UHFFFAOYSA-N
XLogP5.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 46042695
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042509
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46043139
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693
N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
CID 46043146
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042703
N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850586
3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42850574
3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042772
N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042503

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide (CID 46042530) is N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide is COc1ccc(-n2nc(C)c(CCC(=O)Nc3ccc(F)cc3)c2Oc2ccccc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide?
The InChIKey is JHWIXPPLMZSEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-18-24(16-17-25(31)28-20-10-8-19(27)9-11-20)26(33-23-6-4-3-5-7-23)30(29-18)21-12-14-22(32-2)15-13-21/h3-15H,16-17H2,1-2H3,(H,28,31).
What are the key properties of N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide?
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide has a molecular weight of 445.49 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide is sourced from PubChem (CID 46042530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).