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

C16H11F4N3OS — CID 56847745

IUPAC2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C16H11F4N3OS/c1-23-11(8-13(22-23)16(18,19)20)12-6-7-14(25-12)21-15(24)9-4-2-3-5-10(9)17/h2-8H,1H3,(H,21,24)
InChIKeyKRPSGTIOSWWGJX-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.56
Rot. Bonds3

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

2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide (PubChem CID 56847745) has the molecular formula C16H11F4N3OS and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide
PubChem CID56847745
Molecular FormulaC16H11F4N3OS
Molecular Weight369.34 g/mol
Exact Mass369.06
IUPAC Name2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C16H11F4N3OS/c1-23-11(8-13(22-23)16(18,19)20)12-6-7-14(25-12)21-15(24)9-4-2-3-5-10(9)17/h2-8H,1H3,(H,21,24)
InChIKeyKRPSGTIOSWWGJX-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide (CID 56847745) is 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide is Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide?
The InChIKey is KRPSGTIOSWWGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3OS/c1-23-11(8-13(22-23)16(18,19)20)12-6-7-14(25-12)21-15(24)9-4-2-3-5-10(9)17/h2-8H,1H3,(H,21,24).
What are the key properties of 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide?
2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide has a molecular weight of 369.34 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide is sourced from PubChem (CID 56847745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).