1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde

C11H11N3O — CID 84761337

IUPAC1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
SMILESCCn1nc(-c2cccnc2)cc1C=O
InChIInChI=1S/C11H11N3O/c1-2-14-10(8-15)6-11(13-14)9-4-3-5-12-7-9/h3-8H,2H2,1H3
InChIKeyJAEBKQVJRXHPRV-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.78
Rot. Bonds3

About 1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde

1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde (PubChem CID 84761337) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
PubChem CID84761337
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
SMILESCCn1nc(-c2cccnc2)cc1C=O
InChIInChI=1S/C11H11N3O/c1-2-14-10(8-15)6-11(13-14)9-4-3-5-12-7-9/h3-8H,2H2,1H3
InChIKeyJAEBKQVJRXHPRV-UHFFFAOYSA-N
XLogP1.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde
CID 82207352
3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine
CID 121211783
4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 10243363
2-ethylpyrazole-3-carbaldehyde
CID 7009534
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 117063091
2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 147180179
1-(2-methylpropyl)-3-pyrazin-2-ylpyrazole-5-carbaldehyde
CID 121211034
2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one
CID 58200639
2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
CID 52903522
N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine
CID 121210871
2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 71603406

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde?
The IUPAC name of 1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde (CID 84761337) is 1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde.
What is the SMILES notation for 1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde?
The canonical SMILES for 1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde is CCn1nc(-c2cccnc2)cc1C=O.
What is the InChIKey of 1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde?
The InChIKey is JAEBKQVJRXHPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-14-10(8-15)6-11(13-14)9-4-3-5-12-7-9/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde?
1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde is sourced from PubChem (CID 84761337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).