4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

C16H18F3N3O2 — CID 71808023

IUPAC4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H18F3N3O2/c1-11(2)24-13-5-3-12(4-6-13)15(23)20-8-10-22-9-7-14(21-22)16(17,18)19/h3-7,9,11H,8,10H2,1-2H3,(H,20,23)
InChIKeySWTNOQBDOSRXND-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.12
Rot. Bonds6

About 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (PubChem CID 71808023) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
PubChem CID71808023
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H18F3N3O2/c1-11(2)24-13-5-3-12(4-6-13)15(23)20-8-10-22-9-7-14(21-22)16(17,18)19/h3-7,9,11H,8,10H2,1-2H3,(H,20,23)
InChIKeySWTNOQBDOSRXND-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588556
4-nitro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588590
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614831
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588569
1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 71808010
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (CID 71808023) is 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is CC(C)Oc1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The InChIKey is SWTNOQBDOSRXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-11(2)24-13-5-3-12(4-6-13)15(23)20-8-10-22-9-7-14(21-22)16(17,18)19/h3-7,9,11H,8,10H2,1-2H3,(H,20,23).
What are the key properties of 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide has a molecular weight of 341.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 71808023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).