3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide

C27H26FN3O3 — CID 54767739

IUPAC3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NC(CO)c3ccccc3)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C27H26FN3O3/c1-34-24-13-11-23(12-14-24)31-26(20-8-5-9-21(28)16-20)17-22(30-31)10-15-27(33)29-25(18-32)19-6-3-2-4-7-19/h2-9,11-14,16-17,25,32H,10,15,18H2,1H3,(H,29,33)
InChIKeyZGOPYIPNKJOXAZ-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.47
Rot. Bonds9

About 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide

3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide (PubChem CID 54767739) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide
PubChem CID54767739
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC Name3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NC(CO)c3ccccc3)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C27H26FN3O3/c1-34-24-13-11-23(12-14-24)31-26(20-8-5-9-21(28)16-20)17-22(30-31)10-15-27(33)29-25(18-32)19-6-3-2-4-7-19/h2-9,11-14,16-17,25,32H,10,15,18H2,1H3,(H,29,33)
InChIKeyZGOPYIPNKJOXAZ-UHFFFAOYSA-N
XLogP4.47
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide?
The IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide (CID 54767739) is 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide is COc1ccc(-n2nc(CCC(=O)NC(CO)c3ccccc3)cc2-c2cccc(F)c2)cc1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide?
The InChIKey is ZGOPYIPNKJOXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-34-24-13-11-23(12-14-24)31-26(20-8-5-9-21(28)16-20)17-22(30-31)10-15-27(33)29-25(18-32)19-6-3-2-4-7-19/h2-9,11-14,16-17,25,32H,10,15,18H2,1H3,(H,29,33).
What are the key properties of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide?
3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide has a molecular weight of 459.52 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(2-hydroxy-1-phenylethyl)propanamide is sourced from PubChem (CID 54767739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).