2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide

C9H13N3O2 — CID 103638906

IUPAC2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(N)=O)c(C)c1C=O
InChIInChI=1S/C9H13N3O2/c1-5-8(4-13)6(2)12(11-5)7(3)9(10)14/h4,7H,1-3H3,(H2,10,14)
InChIKeyQXQLUORSBRAFPL-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.36
Rot. Bonds3

About 2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide

2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 103638906) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID103638906
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(N)=O)c(C)c1C=O
InChIInChI=1S/C9H13N3O2/c1-5-8(4-13)6(2)12(11-5)7(3)9(10)14/h4,7H,1-3H3,(H2,10,14)
InChIKeyQXQLUORSBRAFPL-UHFFFAOYSA-N
XLogP0.36
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide (CID 103638906) is 2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for 2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for 2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide is Cc1nn(C(C)C(N)=O)c(C)c1C=O.
What is the InChIKey of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is QXQLUORSBRAFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-8(4-13)6(2)12(11-5)7(3)9(10)14/h4,7H,1-3H3,(H2,10,14).
What are the key properties of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide?
2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 195.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 103638906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).