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

C25H22F2N4O2 — CID 46042798

IUPAC3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)NCc1cccnc1
InChIInChI=1S/C25H22F2N4O2/c1-17-23(11-12-24(32)29-16-18-4-3-13-28-15-18)25(33-22-6-2-5-20(27)14-22)31(30-17)21-9-7-19(26)8-10-21/h2-10,13-15H,11-12,16H2,1H3,(H,29,32)
InChIKeyXSSXGOOVZBPOHR-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.90
Rot. Bonds8

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

3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 46042798) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is 3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID46042798
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)NCc1cccnc1
InChIInChI=1S/C25H22F2N4O2/c1-17-23(11-12-24(32)29-16-18-4-3-13-28-15-18)25(33-22-6-2-5-20(27)14-22)31(30-17)21-9-7-19(26)8-10-21/h2-10,13-15H,11-12,16H2,1H3,(H,29,32)
InChIKeyXSSXGOOVZBPOHR-UHFFFAOYSA-N
XLogP4.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42850574
N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042766
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46042713
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042924
N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide
CID 46042918
N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850588
N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042509
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
N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
CID 46043146
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 46042798) is 3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide is Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)NCc1cccnc1.
What is the InChIKey of 3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is XSSXGOOVZBPOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c1-17-23(11-12-24(32)29-16-18-4-3-13-28-15-18)25(33-22-6-2-5-20(27)14-22)31(30-17)21-9-7-19(26)8-10-21/h2-10,13-15H,11-12,16H2,1H3,(H,29,32).
What are the key properties of 3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 448.47 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 46042798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).