N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide

C12H21N3O2 — CID 126816191

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1cn(C)nc1C
InChIInChI=1S/C12H21N3O2/c1-4-5-6-7-17-9-12(16)13-11-8-15(3)14-10(11)2/h8H,4-7,9H2,1-3H3,(H,13,16)
InChIKeyLKIUAYLAFZQNBT-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.87
Rot. Bonds7

About N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide

N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide (PubChem CID 126816191) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide
PubChem CID126816191
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1cn(C)nc1C
InChIInChI=1S/C12H21N3O2/c1-4-5-6-7-17-9-12(16)13-11-8-15(3)14-10(11)2/h8H,4-7,9H2,1-3H3,(H,13,16)
InChIKeyLKIUAYLAFZQNBT-UHFFFAOYSA-N
XLogP1.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.87
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 N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide (CID 126816191) is N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide is CCCCCOCC(=O)Nc1cn(C)nc1C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide?
The InChIKey is LKIUAYLAFZQNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-5-6-7-17-9-12(16)13-11-8-15(3)14-10(11)2/h8H,4-7,9H2,1-3H3,(H,13,16).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide has a molecular weight of 239.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide is sourced from PubChem (CID 126816191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).