N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H15F3N4O3 — CID 2353573

IUPACN-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1cccc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)c1OC
InChIInChI=1S/C15H15F3N4O3/c1-24-11-5-3-4-10(14(11)25-2)8-19-20-13(23)9-22-7-6-12(21-22)15(16,17)18/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeySCVRBGPXOXWERZ-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.07
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2353573) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2353573
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC NameN-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1cccc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)c1OC
InChIInChI=1S/C15H15F3N4O3/c1-24-11-5-3-4-10(14(11)25-2)8-19-20-13(23)9-22-7-6-12(21-22)15(16,17)18/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeySCVRBGPXOXWERZ-UHFFFAOYSA-N
XLogP2.07
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2353573) is N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1cccc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is SCVRBGPXOXWERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c1-24-11-5-3-4-10(14(11)25-2)8-19-20-13(23)9-22-7-6-12(21-22)15(16,17)18/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 356.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2353573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).