2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide

C12H10F3N3O — CID 87609701

IUPAC2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCc1c(NC(=O)C(F)(F)F)n[nH]c1-c1ccccc1
InChIInChI=1S/C12H10F3N3O/c1-7-9(8-5-3-2-4-6-8)17-18-10(7)16-11(19)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyYDAKNVMUWCIOJI-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.89
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide

2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide (PubChem CID 87609701) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide
PubChem CID87609701
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCc1c(NC(=O)C(F)(F)F)n[nH]c1-c1ccccc1
InChIInChI=1S/C12H10F3N3O/c1-7-9(8-5-3-2-4-6-8)17-18-10(7)16-11(19)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyYDAKNVMUWCIOJI-UHFFFAOYSA-N
XLogP2.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide (CID 87609701) is 2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide is Cc1c(NC(=O)C(F)(F)F)n[nH]c1-c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is YDAKNVMUWCIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-9(8-5-3-2-4-6-8)17-18-10(7)16-11(19)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19).
What are the key properties of 2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide?
2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 269.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 87609701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).