5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C12H21N3O — CID 118489244

IUPAC5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOCCN1CCc2[nH]nc(C(C)C)c2C1
InChIInChI=1S/C12H21N3O/c1-9(2)12-10-8-15(6-7-16-3)5-4-11(10)13-14-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyNLQPAVSXYXWULV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.54
Rot. Bonds4

About 5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 118489244) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID118489244
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOCCN1CCc2[nH]nc(C(C)C)c2C1
InChIInChI=1S/C12H21N3O/c1-9(2)12-10-8-15(6-7-16-3)5-4-11(10)13-14-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyNLQPAVSXYXWULV-UHFFFAOYSA-N
XLogP1.54
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 118489244) is 5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is COCCN1CCc2[nH]nc(C(C)C)c2C1.
What is the InChIKey of 5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is NLQPAVSXYXWULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)12-10-8-15(6-7-16-3)5-4-11(10)13-14-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 223.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118489244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).