2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C20H15F3N4O — CID 141498705

IUPAC2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(C#N)cc2)nn1CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N4O/c1-13-9-18(15-7-5-14(11-24)6-8-15)26-27(13)12-19(28)25-17-4-2-3-16(10-17)20(21,22)23/h2-10H,12H2,1H3,(H,25,28)
InChIKeyFQZSADQJTBKDGR-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.39
Rot. Bonds4

About 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 141498705) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID141498705
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(C#N)cc2)nn1CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N4O/c1-13-9-18(15-7-5-14(11-24)6-8-15)26-27(13)12-19(28)25-17-4-2-3-16(10-17)20(21,22)23/h2-10H,12H2,1H3,(H,25,28)
InChIKeyFQZSADQJTBKDGR-UHFFFAOYSA-N
XLogP4.39
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 141498705) is 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(-c2ccc(C#N)cc2)nn1CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FQZSADQJTBKDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-13-9-18(15-7-5-14(11-24)6-8-15)26-27(13)12-19(28)25-17-4-2-3-16(10-17)20(21,22)23/h2-10H,12H2,1H3,(H,25,28).
What are the key properties of 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 384.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 141498705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).