5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide

C17H24N4O2 — CID 72907527

IUPAC5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCCn2c(C)cccc2=O)c1C
InChIInChI=1S/C17H24N4O2/c1-4-10-21-14(3)15(12-19-21)17(23)18-9-6-11-20-13(2)7-5-8-16(20)22/h5,7-8,12H,4,6,9-11H2,1-3H3,(H,18,23)
InChIKeyZWMKYUKSUIWKEH-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.89
Rot. Bonds7

About 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide

5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide (PubChem CID 72907527) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide
PubChem CID72907527
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCCn2c(C)cccc2=O)c1C
InChIInChI=1S/C17H24N4O2/c1-4-10-21-14(3)15(12-19-21)17(23)18-9-6-11-20-13(2)7-5-8-16(20)22/h5,7-8,12H,4,6,9-11H2,1-3H3,(H,18,23)
InChIKeyZWMKYUKSUIWKEH-UHFFFAOYSA-N
XLogP1.89
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-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 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide (CID 72907527) is 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCCCn2c(C)cccc2=O)c1C.
What is the InChIKey of 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is ZWMKYUKSUIWKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-10-21-14(3)15(12-19-21)17(23)18-9-6-11-20-13(2)7-5-8-16(20)22/h5,7-8,12H,4,6,9-11H2,1-3H3,(H,18,23).
What are the key properties of 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide?
5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72907527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).