5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C14H17N3O — CID 82585612

IUPAC5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(COc3ccccc3)c2C1
InChIInChI=1S/C14H17N3O/c1-17-8-7-13-12(9-17)14(16-15-13)10-18-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,16)
InChIKeyRYLNTHPKMFPIFK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.98
Rot. Bonds3

About 5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82585612) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82585612
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(COc3ccccc3)c2C1
InChIInChI=1S/C14H17N3O/c1-17-8-7-13-12(9-17)14(16-15-13)10-18-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,16)
InChIKeyRYLNTHPKMFPIFK-UHFFFAOYSA-N
XLogP1.98
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82585612) is 5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CN1CCc2[nH]nc(COc3ccccc3)c2C1.
What is the InChIKey of 5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is RYLNTHPKMFPIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-8-7-13-12(9-17)14(16-15-13)10-18-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,16).
What are the key properties of 5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 243.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82585612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).