N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide

C14H16F3N3OS — CID 35289954

IUPACN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)Cc1cccs1
InChIInChI=1S/C14H16F3N3OS/c1-10-8-12(14(15,16)17)19-20(10)6-3-5-18-13(21)9-11-4-2-7-22-11/h2,4,7-8H,3,5-6,9H2,1H3,(H,18,21)
InChIKeyTYBUQYGTUAHIOQ-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.02
Rot. Bonds6

About N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide (PubChem CID 35289954) has the molecular formula C14H16F3N3OS and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide
PubChem CID35289954
Molecular FormulaC14H16F3N3OS
Molecular Weight331.36 g/mol
Exact Mass331.10
IUPAC NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)Cc1cccs1
InChIInChI=1S/C14H16F3N3OS/c1-10-8-12(14(15,16)17)19-20(10)6-3-5-18-13(21)9-11-4-2-7-22-11/h2,4,7-8H,3,5-6,9H2,1H3,(H,18,21)
InChIKeyTYBUQYGTUAHIOQ-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide (CID 35289954) is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)Cc1cccs1.
What is the InChIKey of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide?
The InChIKey is TYBUQYGTUAHIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3OS/c1-10-8-12(14(15,16)17)19-20(10)6-3-5-18-13(21)9-11-4-2-7-22-11/h2,4,7-8H,3,5-6,9H2,1H3,(H,18,21).
What are the key properties of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide?
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide has a molecular weight of 331.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 35289954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).