N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide

C17H14F3N3OS — CID 71808138

IUPACN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3OS/c18-17(19,20)13-5-2-1-4-12(13)16(24)21-8-10-23-9-7-14(22-23)15-6-3-11-25-15/h1-7,9,11H,8,10H2,(H,21,24)
InChIKeyZHHVUQIFTGDSLA-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.06
Rot. Bonds5

About N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide

N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 71808138) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID71808138
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3OS/c18-17(19,20)13-5-2-1-4-12(13)16(24)21-8-10-23-9-7-14(22-23)15-6-3-11-25-15/h1-7,9,11H,8,10H2,(H,21,24)
InChIKeyZHHVUQIFTGDSLA-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole scaffold, 7d
CID 24893962
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
N2-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}thiophene-2-carboxamide
CID 2809248
Pyrazole scaffold, 10d
CID 25218480
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
N-hydroxy-5-(1-(2-oxo-2-(phenylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 10246764
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 71808138) is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCn1ccc(-c2cccs2)n1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZHHVUQIFTGDSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c18-17(19,20)13-5-2-1-4-12(13)16(24)21-8-10-23-9-7-14(22-23)15-6-3-11-25-15/h1-7,9,11H,8,10H2,(H,21,24).
What are the key properties of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 365.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71808138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).