N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C16H20N4O2 — CID 53185477

IUPACN-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOCCNC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C16H20N4O2/c1-22-10-8-17-16(21)20-9-7-14-13(11-20)15(19-18-14)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyKAQQVRJVIZBFJS-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.79
Rot. Bonds4

About N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53185477) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53185477
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOCCNC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C16H20N4O2/c1-22-10-8-17-16(21)20-9-7-14-13(11-20)15(19-18-14)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyKAQQVRJVIZBFJS-UHFFFAOYSA-N
XLogP1.79
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 53185477) is N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is COCCNC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is KAQQVRJVIZBFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-10-8-17-16(21)20-9-7-14-13(11-20)15(19-18-14)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53185477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).