N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

C19H18F3N3O2S — CID 11835476

IUPACN-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOCC(C)NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1
InChIInChI=1S/C19H18F3N3O2S/c1-12(11-27-2)23-18(26)13-5-7-14(8-6-13)25-15(16-4-3-9-28-16)10-17(24-25)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,26)
InChIKeyCFGAPKZOVQOXMR-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.38
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 11835476) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID11835476
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC NameN-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOCC(C)NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1
InChIInChI=1S/C19H18F3N3O2S/c1-12(11-27-2)23-18(26)13-5-7-14(8-6-13)25-15(16-4-3-9-28-16)10-17(24-25)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,26)
InChIKeyCFGAPKZOVQOXMR-UHFFFAOYSA-N
XLogP4.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 11835476) is N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide is COCC(C)NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is CFGAPKZOVQOXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c1-12(11-27-2)23-18(26)13-5-7-14(8-6-13)25-15(16-4-3-9-28-16)10-17(24-25)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,26).
What are the key properties of N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 409.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 11835476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).