1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde

C12H21N3O — CID 107430951

IUPAC1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde
SMILESCCc1nn(CCN(C)C)c(CC)c1C=O
InChIInChI=1S/C12H21N3O/c1-5-11-10(9-16)12(6-2)15(13-11)8-7-14(3)4/h9H,5-8H2,1-4H3
InChIKeyLZKQFEXSVBRLDG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.38
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde

1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde (PubChem CID 107430951) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde
PubChem CID107430951
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde
SMILESCCc1nn(CCN(C)C)c(CC)c1C=O
InChIInChI=1S/C12H21N3O/c1-5-11-10(9-16)12(6-2)15(13-11)8-7-14(3)4/h9H,5-8H2,1-4H3
InChIKeyLZKQFEXSVBRLDG-UHFFFAOYSA-N
XLogP1.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.38
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 1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde (CID 107430951) is 1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde is CCc1nn(CCN(C)C)c(CC)c1C=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde?
The InChIKey is LZKQFEXSVBRLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-11-10(9-16)12(6-2)15(13-11)8-7-14(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde?
1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde has a molecular weight of 223.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 107430951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).