1-pyridin-3-ylpyrazole-4-carbaldehyde

C9H7N3O — CID 54593067

IUPAC1-pyridin-3-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cnn(-c2cccnc2)c1
InChIInChI=1S/C9H7N3O/c13-7-8-4-11-12(6-8)9-2-1-3-10-5-9/h1-7H
InChIKeyWFVPWRGLCLBLNE-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.08
Rot. Bonds2

About 1-pyridin-3-ylpyrazole-4-carbaldehyde

1-pyridin-3-ylpyrazole-4-carbaldehyde (PubChem CID 54593067) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 1-pyridin-3-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-pyridin-3-ylpyrazole-4-carbaldehyde
PubChem CID54593067
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name1-pyridin-3-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cnn(-c2cccnc2)c1
InChIInChI=1S/C9H7N3O/c13-7-8-4-11-12(6-8)9-2-1-3-10-5-9/h1-7H
InChIKeyWFVPWRGLCLBLNE-UHFFFAOYSA-N
XLogP1.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.08
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-pyridin-3-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-pyridin-3-ylpyrazole-4-carbaldehyde (CID 54593067) is 1-pyridin-3-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-pyridin-3-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-pyridin-3-ylpyrazole-4-carbaldehyde is O=Cc1cnn(-c2cccnc2)c1.
What is the InChIKey of 1-pyridin-3-ylpyrazole-4-carbaldehyde?
The InChIKey is WFVPWRGLCLBLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-7-8-4-11-12(6-8)9-2-1-3-10-5-9/h1-7H.
What are the key properties of 1-pyridin-3-ylpyrazole-4-carbaldehyde?
1-pyridin-3-ylpyrazole-4-carbaldehyde has a molecular weight of 173.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 54593067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).