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

C15H17F3N4O — CID 43044268

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C15H17F3N4O/c1-10-8-11(2)22(21-10)7-3-6-19-14(23)12-4-5-13(20-9-12)15(16,17)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,23)
InChIKeyNUWODXGSEPGPQY-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.73
Rot. Bonds5

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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 43044268) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID43044268
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C15H17F3N4O/c1-10-8-11(2)22(21-10)7-3-6-19-14(23)12-4-5-13(20-9-12)15(16,17)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,23)
InChIKeyNUWODXGSEPGPQY-UHFFFAOYSA-N
XLogP2.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 43044268) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NUWODXGSEPGPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-10-8-11(2)22(21-10)7-3-6-19-14(23)12-4-5-13(20-9-12)15(16,17)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,23).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 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]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 43044268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).