2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide

C20H18F3N3O — CID 25106308

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(F)c1F
InChIInChI=1S/C20H18F3N3O/c1-12-16(13(2)26(25-12)15-6-4-3-5-7-15)10-18(27)24-11-14-8-9-17(21)20(23)19(14)22/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyCQVSLOQKVIUCOO-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.77
Rot. Bonds5

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide (PubChem CID 25106308) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
PubChem CID25106308
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(F)c1F
InChIInChI=1S/C20H18F3N3O/c1-12-16(13(2)26(25-12)15-6-4-3-5-7-15)10-18(27)24-11-14-8-9-17(21)20(23)19(14)22/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyCQVSLOQKVIUCOO-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide (CID 25106308) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
The InChIKey is CQVSLOQKVIUCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-12-16(13(2)26(25-12)15-6-4-3-5-7-15)10-18(27)24-11-14-8-9-17(21)20(23)19(14)22/h3-9H,10-11H2,1-2H3,(H,24,27).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide has a molecular weight of 373.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide is sourced from PubChem (CID 25106308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).