1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde

C13H10N4O2S — CID 89357953

IUPAC1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde
SMILESCOc1ccc(-n2nc(C=O)cc2-c2cncs2)cn1
InChIInChI=1S/C13H10N4O2S/c1-19-13-3-2-10(5-15-13)17-11(4-9(7-18)16-17)12-6-14-8-20-12/h2-8H,1H3
InChIKeyOCTVEUHHKMUOKY-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.21
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde

1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde (PubChem CID 89357953) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde
PubChem CID89357953
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde
SMILESCOc1ccc(-n2nc(C=O)cc2-c2cncs2)cn1
InChIInChI=1S/C13H10N4O2S/c1-19-13-3-2-10(5-15-13)17-11(4-9(7-18)16-17)12-6-14-8-20-12/h2-8H,1H3
InChIKeyOCTVEUHHKMUOKY-UHFFFAOYSA-N
XLogP2.21
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde (CID 89357953) is 1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde is COc1ccc(-n2nc(C=O)cc2-c2cncs2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde?
The InChIKey is OCTVEUHHKMUOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-19-13-3-2-10(5-15-13)17-11(4-9(7-18)16-17)12-6-14-8-20-12/h2-8H,1H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde?
1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde has a molecular weight of 286.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-5-(1,3-thiazol-5-yl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 89357953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).