N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H13ClF3N3O2 — CID 753166

IUPACN-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1Cl
InChIInChI=1S/C14H13ClF3N3O2/c1-8-5-12(14(16,17)18)20-21(8)7-13(22)19-9-3-4-11(23-2)10(15)6-9/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyZUOKXMSBSIWTLX-UHFFFAOYSA-N
MW347.72 g/mol
LogP3.51
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 753166) has the molecular formula C14H13ClF3N3O2 and a molecular weight of 347.72 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID753166
Molecular FormulaC14H13ClF3N3O2
Molecular Weight347.72 g/mol
Exact Mass347.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1Cl
InChIInChI=1S/C14H13ClF3N3O2/c1-8-5-12(14(16,17)18)20-21(8)7-13(22)19-9-3-4-11(23-2)10(15)6-9/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyZUOKXMSBSIWTLX-UHFFFAOYSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 753166) is N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZUOKXMSBSIWTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O2/c1-8-5-12(14(16,17)18)20-21(8)7-13(22)19-9-3-4-11(23-2)10(15)6-9/h3-6H,7H2,1-2H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 347.72 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 753166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).