4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine

C19H21N3O2 — CID 175944907

IUPAC4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine
SMILESCCOc1nc(-c2ccccc2)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C19H21N3O2/c1-2-24-19-16-13-20-22(15-8-10-23-11-9-15)18(16)12-17(21-19)14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3
InChIKeyVILIPQKRBRUKNN-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.85
Rot. Bonds4

About 4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine

4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine (PubChem CID 175944907) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine
PubChem CID175944907
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine
SMILESCCOc1nc(-c2ccccc2)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C19H21N3O2/c1-2-24-19-16-13-20-22(15-8-10-23-11-9-15)18(16)12-17(21-19)14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3
InChIKeyVILIPQKRBRUKNN-UHFFFAOYSA-N
XLogP3.85
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 12555
CID 12555
CID 65464
CID 65464
CID 11581936
CID 11581936
CID 11682906
CID 11682906
CID 11196622
CID 11196622
CID 11604203
CID 11604203
CID 24955343
CID 24955343
CID 25072002
CID 25072002
CID 25093832
CID 25093832
CID 51353528
CID 51353528
CID 56943105
CID 56943105
CID 200264
CID 200264

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine?
The IUPAC name of 4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine (CID 175944907) is 4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine is CCOc1nc(-c2ccccc2)cc2c1cnn2C1CCOCC1.
What is the InChIKey of 4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine?
The InChIKey is VILIPQKRBRUKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-24-19-16-13-20-22(15-8-10-23-11-9-15)18(16)12-17(21-19)14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3.
What are the key properties of 4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine?
4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine has a molecular weight of 323.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 175944907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).