2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide

C13H23N3O — CID 82698622

IUPAC2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCCc1cc(CC)n(CC(=O)N(C)C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-6-11-8-12(7-2)16(14-11)9-13(17)15(5)10(3)4/h8,10H,6-7,9H2,1-5H3
InChIKeyPEBPCQIMHHCILP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.87
Rot. Bonds5

About 2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 82698622) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID82698622
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCCc1cc(CC)n(CC(=O)N(C)C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-6-11-8-12(7-2)16(14-11)9-13(17)15(5)10(3)4/h8,10H,6-7,9H2,1-5H3
InChIKeyPEBPCQIMHHCILP-UHFFFAOYSA-N
XLogP1.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 82698622) is 2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide is CCc1cc(CC)n(CC(=O)N(C)C(C)C)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is PEBPCQIMHHCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-11-8-12(7-2)16(14-11)9-13(17)15(5)10(3)4/h8,10H,6-7,9H2,1-5H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 237.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 82698622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).