3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide

C27H25F2N3O3 — CID 46042454

IUPAC3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(F)c2)c1CCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C27H25F2N3O3/c1-3-25-24(14-15-26(33)30-20-8-4-6-18(28)16-20)27(35-23-9-5-7-19(29)17-23)32(31-25)21-10-12-22(34-2)13-11-21/h4-13,16-17H,3,14-15H2,1-2H3,(H,30,33)
InChIKeyUBAYDHBLKYPCQV-UHFFFAOYSA-N
MW477.51 g/mol
LogP6.09
Rot. Bonds9

About 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide

3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 46042454) has the molecular formula C27H25F2N3O3 and a molecular weight of 477.51 g/mol. Its IUPAC name is 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
PubChem CID46042454
Molecular FormulaC27H25F2N3O3
Molecular Weight477.51 g/mol
Exact Mass477.19
IUPAC Name3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(F)c2)c1CCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C27H25F2N3O3/c1-3-25-24(14-15-26(33)30-20-8-4-6-18(28)16-20)27(35-23-9-5-7-19(29)17-23)32(31-25)21-10-12-22(34-2)13-11-21/h4-13,16-17H,3,14-15H2,1-2H3,(H,30,33)
InChIKeyUBAYDHBLKYPCQV-UHFFFAOYSA-N
XLogP6.09
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.51
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-methylphenyl)propanamide
CID 46042455
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850424
3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850393
N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042509
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 42850467
3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850403
3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide
CID 42850441
3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 42850417
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 42850496
3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxypyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042417

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide (CID 46042454) is 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide is CCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(F)c2)c1CCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is UBAYDHBLKYPCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O3/c1-3-25-24(14-15-26(33)30-20-8-4-6-18(28)16-20)27(35-23-9-5-7-19(29)17-23)32(31-25)21-10-12-22(34-2)13-11-21/h4-13,16-17H,3,14-15H2,1-2H3,(H,30,33).
What are the key properties of 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 477.51 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 46042454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).