2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide

C14H26N4O — CID 43647870

IUPAC2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCCNCc1c(C)nn(CC(=O)N(C)CC)c1C
InChIInChI=1S/C14H26N4O/c1-6-8-15-9-13-11(3)16-18(12(13)4)10-14(19)17(5)7-2/h15H,6-10H2,1-5H3
InChIKeyDENTVTLSHMPSRI-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.48
Rot. Bonds7

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

2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 43647870) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
PubChem CID43647870
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCCNCc1c(C)nn(CC(=O)N(C)CC)c1C
InChIInChI=1S/C14H26N4O/c1-6-8-15-9-13-11(3)16-18(12(13)4)10-14(19)17(5)7-2/h15H,6-10H2,1-5H3
InChIKeyDENTVTLSHMPSRI-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
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 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide (CID 43647870) is 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide is CCCNCc1c(C)nn(CC(=O)N(C)CC)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is DENTVTLSHMPSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-8-15-9-13-11(3)16-18(12(13)4)10-14(19)17(5)7-2/h15H,6-10H2,1-5H3.
What are the key properties of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide?
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 266.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43647870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).