5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde

C8H13N3O — CID 11412595

IUPAC5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N(C)C)c1C=O
InChIInChI=1S/C8H13N3O/c1-6-7(5-12)8(10(2)3)11(4)9-6/h5H,1-4H3
InChIKeyLUYRUQPYHUYINP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.61
Rot. Bonds2

About 5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde

5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 11412595) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID11412595
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N(C)C)c1C=O
InChIInChI=1S/C8H13N3O/c1-6-7(5-12)8(10(2)3)11(4)9-6/h5H,1-4H3
InChIKeyLUYRUQPYHUYINP-UHFFFAOYSA-N
XLogP0.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.61
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 5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde (CID 11412595) is 5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(N(C)C)c1C=O.
What is the InChIKey of 5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is LUYRUQPYHUYINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-7(5-12)8(10(2)3)11(4)9-6/h5H,1-4H3.
What are the key properties of 5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 167.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 11412595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).