2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide

C13H19N3O — CID 175955796

IUPAC2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide
SMILESCc1cn(C)nc1C(C(N)=O)C1(C)CC=CC1
InChIInChI=1S/C13H19N3O/c1-9-8-16(3)15-11(9)10(12(14)17)13(2)6-4-5-7-13/h4-5,8,10H,6-7H2,1-3H3,(H2,14,17)
InChIKeyIUTPBHDAGQDNAF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.65
Rot. Bonds3

About 2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide

2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide (PubChem CID 175955796) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide
PubChem CID175955796
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide
SMILESCc1cn(C)nc1C(C(N)=O)C1(C)CC=CC1
InChIInChI=1S/C13H19N3O/c1-9-8-16(3)15-11(9)10(12(14)17)13(2)6-4-5-7-13/h4-5,8,10H,6-7H2,1-3H3,(H2,14,17)
InChIKeyIUTPBHDAGQDNAF-UHFFFAOYSA-N
XLogP1.65
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide?
The IUPAC name of 2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide (CID 175955796) is 2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide?
The canonical SMILES for 2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide is Cc1cn(C)nc1C(C(N)=O)C1(C)CC=CC1.
What is the InChIKey of 2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide?
The InChIKey is IUTPBHDAGQDNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-8-16(3)15-11(9)10(12(14)17)13(2)6-4-5-7-13/h4-5,8,10H,6-7H2,1-3H3,(H2,14,17).
What are the key properties of 2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide?
2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide is sourced from PubChem (CID 175955796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).