3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde

C13H13N3O — CID 105484597

IUPAC3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde
SMILESO=Cc1cccc(-n2ncc3c2CCNC3)c1
InChIInChI=1S/C13H13N3O/c17-9-10-2-1-3-12(6-10)16-13-4-5-14-7-11(13)8-15-16/h1-3,6,8-9,14H,4-5,7H2
InChIKeyUCOLEZOTCPMXHI-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.33
Rot. Bonds2

About 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde

3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde (PubChem CID 105484597) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde
PubChem CID105484597
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde
SMILESO=Cc1cccc(-n2ncc3c2CCNC3)c1
InChIInChI=1S/C13H13N3O/c17-9-10-2-1-3-12(6-10)16-13-4-5-14-7-11(13)8-15-16/h1-3,6,8-9,14H,4-5,7H2
InChIKeyUCOLEZOTCPMXHI-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde?
The IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde (CID 105484597) is 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde.
What is the SMILES notation for 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde?
The canonical SMILES for 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde is O=Cc1cccc(-n2ncc3c2CCNC3)c1.
What is the InChIKey of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde?
The InChIKey is UCOLEZOTCPMXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-9-10-2-1-3-12(6-10)16-13-4-5-14-7-11(13)8-15-16/h1-3,6,8-9,14H,4-5,7H2.
What are the key properties of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde?
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde has a molecular weight of 227.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde is sourced from PubChem (CID 105484597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).