2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide

C22H18FN3OS — CID 71809953

IUPAC2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C22H18FN3OS/c23-20-7-5-16(6-8-20)19-12-25-26(13-19)14-22(27)24-11-17-3-1-2-4-21(17)18-9-10-28-15-18/h1-10,12-13,15H,11,14H2,(H,24,27)
InChIKeyMFOZZNJPDNVTJJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.73
Rot. Bonds6

About 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide

2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide (PubChem CID 71809953) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
PubChem CID71809953
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C22H18FN3OS/c23-20-7-5-16(6-8-20)19-12-25-26(13-19)14-22(27)24-11-17-3-1-2-4-21(17)18-9-10-28-15-18/h1-10,12-13,15H,11,14H2,(H,24,27)
InChIKeyMFOZZNJPDNVTJJ-UHFFFAOYSA-N
XLogP4.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide (CID 71809953) is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide is O=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccccc1-c1ccsc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The InChIKey is MFOZZNJPDNVTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c23-20-7-5-16(6-8-20)19-12-25-26(13-19)14-22(27)24-11-17-3-1-2-4-21(17)18-9-10-28-15-18/h1-10,12-13,15H,11,14H2,(H,24,27).
What are the key properties of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide is sourced from PubChem (CID 71809953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).