5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide

C13H12F3N5O3 — CID 166188150

IUPAC5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(N)=O)c1NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H12F3N5O3/c1-6-10(11(12(17)24)20-19-6)18-8(22)5-21-4-7(13(14,15)16)2-3-9(21)23/h2-4H,5H2,1H3,(H2,17,24)(H,18,22)(H,19,20)
InChIKeyKORZTHXQTHGZDB-UHFFFAOYSA-N
MW343.27 g/mol
LogP0.64
Rot. Bonds4

About 5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide

5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide (PubChem CID 166188150) has the molecular formula C13H12F3N5O3 and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide
PubChem CID166188150
Molecular FormulaC13H12F3N5O3
Molecular Weight343.27 g/mol
Exact Mass343.09
IUPAC Name5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(N)=O)c1NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H12F3N5O3/c1-6-10(11(12(17)24)20-19-6)18-8(22)5-21-4-7(13(14,15)16)2-3-9(21)23/h2-4H,5H2,1H3,(H2,17,24)(H,18,22)(H,19,20)
InChIKeyKORZTHXQTHGZDB-UHFFFAOYSA-N
XLogP0.64
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7999178
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284677
N-(2,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623835
N-(3,5-dimethoxyphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2109103
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669
N-(4-methyl-3-sulfamoylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 30502354
[2-(4-methylanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18271367
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2623827
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
methyl 2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]benzoate
CID 2623859

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide (CID 166188150) is 5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(N)=O)c1NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide?
The InChIKey is KORZTHXQTHGZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O3/c1-6-10(11(12(17)24)20-19-6)18-8(22)5-21-4-7(13(14,15)16)2-3-9(21)23/h2-4H,5H2,1H3,(H2,17,24)(H,18,22)(H,19,20).
What are the key properties of 5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide?
5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide has a molecular weight of 343.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166188150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).