5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol

C15H19N3O2 — CID 110539705

IUPAC5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol
SMILESCCN1CCc2[nH]nc(-c3ccc(OC)c(O)c3)c2C1
InChIInChI=1S/C15H19N3O2/c1-3-18-7-6-12-11(9-18)15(17-16-12)10-4-5-14(20-2)13(19)8-10/h4-5,8,19H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyJDGKQNXRXWPEPO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds3

About 5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol

5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol (PubChem CID 110539705) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol
PubChem CID110539705
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol
SMILESCCN1CCc2[nH]nc(-c3ccc(OC)c(O)c3)c2C1
InChIInChI=1S/C15H19N3O2/c1-3-18-7-6-12-11(9-18)15(17-16-12)10-4-5-14(20-2)13(19)8-10/h4-5,8,19H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyJDGKQNXRXWPEPO-UHFFFAOYSA-N
XLogP2.17
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol?
The IUPAC name of 5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol (CID 110539705) is 5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol?
The canonical SMILES for 5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol is CCN1CCc2[nH]nc(-c3ccc(OC)c(O)c3)c2C1.
What is the InChIKey of 5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol?
The InChIKey is JDGKQNXRXWPEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-7-6-12-11(9-18)15(17-16-12)10-4-5-14(20-2)13(19)8-10/h4-5,8,19H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol?
5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol has a molecular weight of 273.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol is sourced from PubChem (CID 110539705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).