3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide

C25H20F3N3O2 — CID 46042772

IUPAC3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C25H20F3N3O2/c1-16-21(13-14-24(32)29-19-6-4-5-18(27)15-19)25(33-23-8-3-2-7-22(23)28)31(30-16)20-11-9-17(26)10-12-20/h2-12,15H,13-14H2,1H3,(H,29,32)
InChIKeyBXTNAFSTKJRNGS-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.96
Rot. Bonds7

About 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide

3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 46042772) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
PubChem CID46042772
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C25H20F3N3O2/c1-16-21(13-14-24(32)29-19-6-4-5-18(27)15-19)25(33-23-8-3-2-7-22(23)28)31(30-16)20-11-9-17(26)10-12-20/h2-12,15H,13-14H2,1H3,(H,29,32)
InChIKeyBXTNAFSTKJRNGS-UHFFFAOYSA-N
XLogP5.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042648
3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850403
N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042509
N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042766
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850424
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850393
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 46042695
N-ethyl-3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-methylpropanamide
CID 46043116
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-methyl-N-propan-2-ylpropanamide
CID 46042659

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide (CID 46042772) is 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide is Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is BXTNAFSTKJRNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-16-21(13-14-24(32)29-19-6-4-5-18(27)15-19)25(33-23-8-3-2-7-22(23)28)31(30-16)20-11-9-17(26)10-12-20/h2-12,15H,13-14H2,1H3,(H,29,32).
What are the key properties of 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide?
3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 451.45 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 46042772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).