N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H16F3N3O2 — CID 5147591

IUPACN-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCC(C)NC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C11H16F3N3O2/c1-7(6-19-3)15-10(18)5-17-8(2)4-9(16-17)11(12,13)14/h4,7H,5-6H2,1-3H3,(H,15,18)
InChIKeyHTHNYSXDUYTQPZ-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.36
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 5147591) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID5147591
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCC(C)NC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C11H16F3N3O2/c1-7(6-19-3)15-10(18)5-17-8(2)4-9(16-17)11(12,13)14/h4,7H,5-6H2,1-3H3,(H,15,18)
InChIKeyHTHNYSXDUYTQPZ-UHFFFAOYSA-N
XLogP1.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 5147591) is N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COCC(C)NC(=O)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is HTHNYSXDUYTQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7(6-19-3)15-10(18)5-17-8(2)4-9(16-17)11(12,13)14/h4,7H,5-6H2,1-3H3,(H,15,18).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 279.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 5147591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).