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

C14H17N3O — CID 84647418

IUPAC1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCOc1cccc(-n2nc(C)c3c2CCNC3)c1
InChIInChI=1S/C14H17N3O/c1-10-13-9-15-7-6-14(13)17(16-10)11-4-3-5-12(8-11)18-2/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyXWAMBHMWFAQOOF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds2

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

1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 84647418) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID84647418
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCOc1cccc(-n2nc(C)c3c2CCNC3)c1
InChIInChI=1S/C14H17N3O/c1-10-13-9-15-7-6-14(13)17(16-10)11-4-3-5-12(8-11)18-2/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyXWAMBHMWFAQOOF-UHFFFAOYSA-N
XLogP1.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 84647418) is 1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is COc1cccc(-n2nc(C)c3c2CCNC3)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is XWAMBHMWFAQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-13-9-15-7-6-14(13)17(16-10)11-4-3-5-12(8-11)18-2/h3-5,8,15H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 243.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 84647418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).