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

C17H14F3N3O3S — CID 156574886

IUPACN-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCOc1ccsc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1
InChIInChI=1S/C17H14F3N3O3S/c1-25-14-6-7-27-15(14)12-8-10(22-23-12)9-21-16(24)11-4-2-3-5-13(11)26-17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyXPGHNNSFLHTSGH-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.98
Rot. Bonds6

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

N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 156574886) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID156574886
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC NameN-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCOc1ccsc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1
InChIInChI=1S/C17H14F3N3O3S/c1-25-14-6-7-27-15(14)12-8-10(22-23-12)9-21-16(24)11-4-2-3-5-13(11)26-17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyXPGHNNSFLHTSGH-UHFFFAOYSA-N
XLogP3.98
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 156574886) is N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is COc1ccsc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.
What is the InChIKey of N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is XPGHNNSFLHTSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-25-14-6-7-27-15(14)12-8-10(22-23-12)9-21-16(24)11-4-2-3-5-13(11)26-17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 397.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxythiophen-2-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 156574886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).