3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide

C13H24N4O — CID 43647869

IUPAC3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCCCNCc1c(C)nn(CC(C)C(N)=O)c1C
InChIInChI=1S/C13H24N4O/c1-5-6-15-7-12-10(3)16-17(11(12)4)8-9(2)13(14)18/h9,15H,5-8H2,1-4H3,(H2,14,18)
InChIKeyRABRJOMXXIBGPP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.12
Rot. Bonds7

About 3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide

3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide (PubChem CID 43647869) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide
PubChem CID43647869
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCCCNCc1c(C)nn(CC(C)C(N)=O)c1C
InChIInChI=1S/C13H24N4O/c1-5-6-15-7-12-10(3)16-17(11(12)4)8-9(2)13(14)18/h9,15H,5-8H2,1-4H3,(H2,14,18)
InChIKeyRABRJOMXXIBGPP-UHFFFAOYSA-N
XLogP1.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.12
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 3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide (CID 43647869) is 3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide is CCCNCc1c(C)nn(CC(C)C(N)=O)c1C.
What is the InChIKey of 3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is RABRJOMXXIBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-15-7-12-10(3)16-17(11(12)4)8-9(2)13(14)18/h9,15H,5-8H2,1-4H3,(H2,14,18).
What are the key properties of 3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide?
3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 43647869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).