5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

C17H13F3N4O2 — CID 25098412

IUPAC5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O2/c1-10-14(16(26)24(23-10)13-4-2-3-9-21-13)15(25)22-12-7-5-11(6-8-12)17(18,19)20/h2-9,23H,1H3,(H,22,25)
InChIKeyKZLLIWPFOFZCCV-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.14
Rot. Bonds3

About 5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 25098412) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID25098412
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O2/c1-10-14(16(26)24(23-10)13-4-2-3-9-21-13)15(25)22-12-7-5-11(6-8-12)17(18,19)20/h2-9,23H,1H3,(H,22,25)
InChIKeyKZLLIWPFOFZCCV-UHFFFAOYSA-N
XLogP3.14
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 25098412) is 5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is KZLLIWPFOFZCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-10-14(16(26)24(23-10)13-4-2-3-9-21-13)15(25)22-12-7-5-11(6-8-12)17(18,19)20/h2-9,23H,1H3,(H,22,25).
What are the key properties of 5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25098412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).