2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide

C10H17N3O2 — CID 177116370

IUPAC2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide
SMILESCCOc1cnn(C(C)(C)C(=O)NC)c1
InChIInChI=1S/C10H17N3O2/c1-5-15-8-6-12-13(7-8)10(2,3)9(14)11-4/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeyPFLZAKFGTGHHDR-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.76
Rot. Bonds4

About 2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide

2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide (PubChem CID 177116370) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide
PubChem CID177116370
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide
SMILESCCOc1cnn(C(C)(C)C(=O)NC)c1
InChIInChI=1S/C10H17N3O2/c1-5-15-8-6-12-13(7-8)10(2,3)9(14)11-4/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeyPFLZAKFGTGHHDR-UHFFFAOYSA-N
XLogP0.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide?
The IUPAC name of 2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide (CID 177116370) is 2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide is CCOc1cnn(C(C)(C)C(=O)NC)c1.
What is the InChIKey of 2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide?
The InChIKey is PFLZAKFGTGHHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-15-8-6-12-13(7-8)10(2,3)9(14)11-4/h6-7H,5H2,1-4H3,(H,11,14).
What are the key properties of 2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide?
2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide has a molecular weight of 211.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypyrazol-1-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 177116370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).