N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide

C16H12F3N3O2S — CID 156574629

IUPACN-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)24-13-5-2-1-4-11(13)15(23)20-9-10-8-12(22-21-10)14-6-3-7-25-14/h1-8H,9H2,(H,20,23)(H,21,22)
InChIKeyOOVLVXYPFKZAMP-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.97
Rot. Bonds5

About N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide

N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 156574629) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide
PubChem CID156574629
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)24-13-5-2-1-4-11(13)15(23)20-9-10-8-12(22-21-10)14-6-3-7-25-14/h1-8H,9H2,(H,20,23)(H,21,22)
InChIKeyOOVLVXYPFKZAMP-UHFFFAOYSA-N
XLogP3.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide (CID 156574629) is N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide is O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is OOVLVXYPFKZAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)24-13-5-2-1-4-11(13)15(23)20-9-10-8-12(22-21-10)14-6-3-7-25-14/h1-8H,9H2,(H,20,23)(H,21,22).
What are the key properties of N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide?
N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 367.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 156574629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).