N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C15H17F3N4O2 — CID 39441695

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n1
InChIInChI=1S/C15H17F3N4O2/c1-9-8-10(2)22(21-9)7-3-6-19-13(23)11-4-5-12(15(16,17)18)20-14(11)24/h4-5,8H,3,6-7H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyUZXVUJAKHLVAJO-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.03
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 39441695) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID39441695
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n1
InChIInChI=1S/C15H17F3N4O2/c1-9-8-10(2)22(21-9)7-3-6-19-13(23)11-4-5-12(15(16,17)18)20-14(11)24/h4-5,8H,3,6-7H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyUZXVUJAKHLVAJO-UHFFFAOYSA-N
XLogP2.03
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 39441695) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is UZXVUJAKHLVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-9-8-10(2)22(21-9)7-3-6-19-13(23)11-4-5-12(15(16,17)18)20-14(11)24/h4-5,8H,3,6-7H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 39441695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).