2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde

C6H10N2O — CID 174780625

IUPAC2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde
SMILESCC1=CN(C)NC1C=O
InChIInChI=1S/C6H10N2O/c1-5-3-8(2)7-6(5)4-9/h3-4,6-7H,1-2H3
InChIKeyZUTDJXOGOOJUNY-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.09
Rot. Bonds1

About 2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde

2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde (PubChem CID 174780625) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde
PubChem CID174780625
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde
SMILESCC1=CN(C)NC1C=O
InChIInChI=1S/C6H10N2O/c1-5-3-8(2)7-6(5)4-9/h3-4,6-7H,1-2H3
InChIKeyZUTDJXOGOOJUNY-UHFFFAOYSA-N
XLogP-0.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dimethyl-1,5-dihydropyrazole-5-carbaldehyde?
The IUPAC name of 2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde (CID 174780625) is 2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde.
What is the SMILES notation for 2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde?
The canonical SMILES for 2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde is CC1=CN(C)NC1C=O.
What is the InChIKey of 2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde?
The InChIKey is ZUTDJXOGOOJUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-3-8(2)7-6(5)4-9/h3-4,6-7H,1-2H3.
What are the key properties of 2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde?
2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde has a molecular weight of 126.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,5-dihydropyrazole-5-carbaldehyde is sourced from PubChem (CID 174780625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).