N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide

C27H26FN3O4 — CID 46042509

IUPACN-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
SMILESCOc1ccc(Oc2c(CCC(=O)Nc3cccc(F)c3)c(C)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H26FN3O4/c1-18-25(15-16-26(32)29-20-6-4-5-19(28)17-20)27(35-24-13-11-23(34-3)12-14-24)31(30-18)21-7-9-22(33-2)10-8-21/h4-14,17H,15-16H2,1-3H3,(H,29,32)
InChIKeyHNUAMADVJMADRE-UHFFFAOYSA-N
MW475.52 g/mol
LogP5.70
Rot. Bonds9

About N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide

N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide (PubChem CID 46042509) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
PubChem CID46042509
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC NameN-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
SMILESCOc1ccc(Oc2c(CCC(=O)Nc3cccc(F)c3)c(C)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H26FN3O4/c1-18-25(15-16-26(32)29-20-6-4-5-19(28)17-20)27(35-24-13-11-23(34-3)12-14-24)31(30-18)21-7-9-22(33-2)10-8-21/h4-14,17H,15-16H2,1-3H3,(H,29,32)
InChIKeyHNUAMADVJMADRE-UHFFFAOYSA-N
XLogP5.70
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 46042695
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042454
3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042648
3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042772
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-methylphenyl)propanamide
CID 46042455
3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850393
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850424
N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042503
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042703

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide (CID 46042509) is N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide is COc1ccc(Oc2c(CCC(=O)Nc3cccc(F)c3)c(C)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide?
The InChIKey is HNUAMADVJMADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-18-25(15-16-26(32)29-20-6-4-5-19(28)17-20)27(35-24-13-11-23(34-3)12-14-24)31(30-18)21-7-9-22(33-2)10-8-21/h4-14,17H,15-16H2,1-3H3,(H,29,32).
What are the key properties of N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide?
N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide has a molecular weight of 475.52 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide is sourced from PubChem (CID 46042509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).