[2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C17H20N2O3 — CID 86788302

IUPAC[2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOCc1ccccc1COC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C17H20N2O3/c1-21-11-13-6-2-3-7-14(13)12-22-17(20)15-10-18-19-9-5-4-8-16(15)19/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3
InChIKeyPUVAEUJKWBSXRM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.72
Rot. Bonds5

About [2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

[2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 86788302) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID86788302
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOCc1ccccc1COC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C17H20N2O3/c1-21-11-13-6-2-3-7-14(13)12-22-17(20)15-10-18-19-9-5-4-8-16(15)19/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3
InChIKeyPUVAEUJKWBSXRM-UHFFFAOYSA-N
XLogP2.72
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of [2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 86788302) is [2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for [2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for [2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is COCc1ccccc1COC(=O)c1cnn2c1CCCC2.
What is the InChIKey of [2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is PUVAEUJKWBSXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-11-13-6-2-3-7-14(13)12-22-17(20)15-10-18-19-9-5-4-8-16(15)19/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3.
What are the key properties of [2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
[2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 86788302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).