N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H20FN3OS — CID 46449673

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C19H20FN3OS/c1-12-16(13(2)23(3)22-12)11-18(24)21-19(17-5-4-10-25-17)14-6-8-15(20)9-7-14/h4-10,19H,11H2,1-3H3,(H,21,24)
InChIKeyVJZHEAZPGXIXEO-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.69
Rot. Bonds5

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 46449673) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID46449673
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C19H20FN3OS/c1-12-16(13(2)23(3)22-12)11-18(24)21-19(17-5-4-10-25-17)14-6-8-15(20)9-7-14/h4-10,19H,11H2,1-3H3,(H,21,24)
InChIKeyVJZHEAZPGXIXEO-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 46449673) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is VJZHEAZPGXIXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-12-16(13(2)23(3)22-12)11-18(24)21-19(17-5-4-10-25-17)14-6-8-15(20)9-7-14/h4-10,19H,11H2,1-3H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 46449673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).