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

C17H14F3N3O2S — CID 156574962

IUPACN-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCc1sccc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1
InChIInChI=1S/C17H14F3N3O2S/c1-10-12(6-7-26-10)14-8-11(22-23-14)9-21-16(24)13-4-2-3-5-15(13)25-17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyRTZJJMLBFDSRJY-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.28
Rot. Bonds5

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

N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 156574962) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID156574962
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC NameN-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCc1sccc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1
InChIInChI=1S/C17H14F3N3O2S/c1-10-12(6-7-26-10)14-8-11(22-23-14)9-21-16(24)13-4-2-3-5-15(13)25-17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyRTZJJMLBFDSRJY-UHFFFAOYSA-N
XLogP4.28
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 156574962) is N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is Cc1sccc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.
What is the InChIKey of N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is RTZJJMLBFDSRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-10-12(6-7-26-10)14-8-11(22-23-14)9-21-16(24)13-4-2-3-5-15(13)25-17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 381.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylthiophen-3-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 156574962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).