4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane

C13H23N3O — CID 143177610

IUPAC4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane
SMILESCC.CC(C(CC=O)c1c#cn(C)n1)N(C)C
InChIInChI=1S/C11H17N3O.C2H6/c1-9(13(2)3)10(6-8-15)11-5-7-14(4)12-11;1-2/h8-10H,6H2,1-4H3;1-2H3
InChIKeyWGTADOJZTUJMNJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.67
Rot. Bonds5

About 4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane

4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane (PubChem CID 143177610) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane.

Molecular Properties

Compound Name4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane
PubChem CID143177610
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane
SMILESCC.CC(C(CC=O)c1c#cn(C)n1)N(C)C
InChIInChI=1S/C11H17N3O.C2H6/c1-9(13(2)3)10(6-8-15)11-5-7-14(4)12-11;1-2/h8-10H,6H2,1-4H3;1-2H3
InChIKeyWGTADOJZTUJMNJ-UHFFFAOYSA-N
XLogP1.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.67
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 4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane?
The IUPAC name of 4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane (CID 143177610) is 4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane.
What is the SMILES notation for 4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane?
The canonical SMILES for 4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane is CC.CC(C(CC=O)c1c#cn(C)n1)N(C)C.
What is the InChIKey of 4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane?
The InChIKey is WGTADOJZTUJMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.C2H6/c1-9(13(2)3)10(6-8-15)11-5-7-14(4)12-11;1-2/h8-10H,6H2,1-4H3;1-2H3.
What are the key properties of 4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane?
4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane has a molecular weight of 237.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-(1-methyl-4,5-didehydropyrazol-3-yl)pentanal;ethane is sourced from PubChem (CID 143177610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).