2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide

C12H19N3O2 — CID 43647167

IUPAC2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCc1nn(CC(=O)N(C)C(C)C)c(C)c1C=O
InChIInChI=1S/C12H19N3O2/c1-8(2)14(5)12(17)6-15-10(4)11(7-16)9(3)13-15/h7-8H,6H2,1-5H3
InChIKeyZBQRBVPCHXVVND-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.18
Rot. Bonds4

About 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 43647167) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID43647167
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCc1nn(CC(=O)N(C)C(C)C)c(C)c1C=O
InChIInChI=1S/C12H19N3O2/c1-8(2)14(5)12(17)6-15-10(4)11(7-16)9(3)13-15/h7-8H,6H2,1-5H3
InChIKeyZBQRBVPCHXVVND-UHFFFAOYSA-N
XLogP1.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
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)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 43647167) is 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide is Cc1nn(CC(=O)N(C)C(C)C)c(C)c1C=O.
What is the InChIKey of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is ZBQRBVPCHXVVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)14(5)12(17)6-15-10(4)11(7-16)9(3)13-15/h7-8H,6H2,1-5H3.
What are the key properties of 2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 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)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43647167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).