4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde

C14H11N3O — CID 157022221

IUPAC4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
SMILESCn1ncc2c(-c3ccc(C=O)cc3)cncc21
InChIInChI=1S/C14H11N3O/c1-17-14-8-15-6-12(13(14)7-16-17)11-4-2-10(9-18)3-5-11/h2-9H,1H3
InChIKeyLSLSRQRLJPWEEX-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.45
Rot. Bonds2

About 4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde

4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde (PubChem CID 157022221) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
PubChem CID157022221
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
SMILESCn1ncc2c(-c3ccc(C=O)cc3)cncc21
InChIInChI=1S/C14H11N3O/c1-17-14-8-15-6-12(13(14)7-16-17)11-4-2-10(9-18)3-5-11/h2-9H,1H3
InChIKeyLSLSRQRLJPWEEX-UHFFFAOYSA-N
XLogP2.45
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.45
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 4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde?
The IUPAC name of 4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde (CID 157022221) is 4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde.
What is the SMILES notation for 4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde?
The canonical SMILES for 4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde is Cn1ncc2c(-c3ccc(C=O)cc3)cncc21.
What is the InChIKey of 4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde?
The InChIKey is LSLSRQRLJPWEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-17-14-8-15-6-12(13(14)7-16-17)11-4-2-10(9-18)3-5-11/h2-9H,1H3.
What are the key properties of 4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde?
4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde has a molecular weight of 237.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)benzaldehyde is sourced from PubChem (CID 157022221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).