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

C16H12F3N3OS — CID 156565670

IUPACN-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)12-5-2-1-4-11(12)15(23)20-9-10-8-13(22-21-10)14-6-3-7-24-14/h1-8H,9H2,(H,20,23)(H,21,22)
InChIKeyQWKQGHGMJGEMRA-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.09
Rot. Bonds4

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

N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 156565670) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID156565670
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC NameN-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)12-5-2-1-4-11(12)15(23)20-9-10-8-13(22-21-10)14-6-3-7-24-14/h1-8H,9H2,(H,20,23)(H,21,22)
InChIKeyQWKQGHGMJGEMRA-UHFFFAOYSA-N
XLogP4.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide (CID 156565670) is N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is QWKQGHGMJGEMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c17-16(18,19)12-5-2-1-4-11(12)15(23)20-9-10-8-13(22-21-10)14-6-3-7-24-14/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-(trifluoromethyl)benzamide?
N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 351.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 156565670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).