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

C13H9F6N3O — CID 2740461

IUPAC2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
SMILESCn1nc(NC(=O)C(F)(F)F)c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C13H9F6N3O/c1-22-9(12(14,15)16)8(7-5-3-2-4-6-7)10(21-22)20-11(23)13(17,18)19/h2-6H,1H3,(H,20,21,23)
InChIKeyXGIQYVNMZRJTQV-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.61
Rot. Bonds2

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

2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide (PubChem CID 2740461) has the molecular formula C13H9F6N3O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
PubChem CID2740461
Molecular FormulaC13H9F6N3O
Molecular Weight337.22 g/mol
Exact Mass337.06
IUPAC Name2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
SMILESCn1nc(NC(=O)C(F)(F)F)c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C13H9F6N3O/c1-22-9(12(14,15)16)8(7-5-3-2-4-6-7)10(21-22)20-11(23)13(17,18)19/h2-6H,1H3,(H,20,21,23)
InChIKeyXGIQYVNMZRJTQV-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zolazepam
CID 35775
1,3-Dimethyl-4-phenyl-1H-pyrazol-5-amine
CID 1502824
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
5-Methyl-3-phenyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875697
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
4-(Trifluoromethyl)-3-[3-(Trifluoromethyl)phenyl]-1,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135566520
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118
1-[4-(4-Fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CID 2810694
1-(4-Fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
CID 2810697
3,6-dimethyl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137106566
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide
CID 1081357

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide (CID 2740461) is 2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide is Cn1nc(NC(=O)C(F)(F)F)c(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide?
The InChIKey is XGIQYVNMZRJTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N3O/c1-22-9(12(14,15)16)8(7-5-3-2-4-6-7)10(21-22)20-11(23)13(17,18)19/h2-6H,1H3,(H,20,21,23).
What are the key properties of 2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide?
2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide has a molecular weight of 337.22 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 2740461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).