N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide

C17H16FN3OS — CID 46985399

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)Cc1ccsc1
InChIInChI=1S/C17H16FN3OS/c1-21(16(22)8-12-6-7-23-11-12)10-14-9-19-20-17(14)13-2-4-15(18)5-3-13/h2-7,9,11H,8,10H2,1H3,(H,19,20)
InChIKeySLXTWZPYKBJAEP-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.48
Rot. Bonds5

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 46985399) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID46985399
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)Cc1ccsc1
InChIInChI=1S/C17H16FN3OS/c1-21(16(22)8-12-6-7-23-11-12)10-14-9-19-20-17(14)13-2-4-15(18)5-3-13/h2-7,9,11H,8,10H2,1H3,(H,19,20)
InChIKeySLXTWZPYKBJAEP-UHFFFAOYSA-N
XLogP3.48
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide (CID 46985399) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide is CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)Cc1ccsc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is SLXTWZPYKBJAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-21(16(22)8-12-6-7-23-11-12)10-14-9-19-20-17(14)13-2-4-15(18)5-3-13/h2-7,9,11H,8,10H2,1H3,(H,19,20).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 329.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 46985399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).