3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C21H23N3O2 — CID 110535893

IUPAC3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1cccc(-c2n[nH]c3c2CN(C)CC3)c1OCc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-24-12-11-18-17(13-24)20(23-22-18)16-9-6-10-19(25-2)21(16)26-14-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3,(H,22,23)
InChIKeyVWDQQKQECYVXLE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.65
Rot. Bonds5

About 3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110535893) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110535893
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1cccc(-c2n[nH]c3c2CN(C)CC3)c1OCc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-24-12-11-18-17(13-24)20(23-22-18)16-9-6-10-19(25-2)21(16)26-14-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3,(H,22,23)
InChIKeyVWDQQKQECYVXLE-UHFFFAOYSA-N
XLogP3.65
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110535893) is 3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1cccc(-c2n[nH]c3c2CN(C)CC3)c1OCc1ccccc1.
What is the InChIKey of 3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is VWDQQKQECYVXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24-12-11-18-17(13-24)20(23-22-18)16-9-6-10-19(25-2)21(16)26-14-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3,(H,22,23).
What are the key properties of 3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 349.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110535893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).