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

C17H22N4O2 — CID 53185521

IUPACN-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOCCNC(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1
InChIInChI=1S/C17H22N4O2/c1-12-3-5-13(6-4-12)16-14-11-21(9-7-15(14)19-20-16)17(22)18-8-10-23-2/h3-6H,7-11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyXTQPNWCEHVLUGT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.10
Rot. Bonds4

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

N-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53185521) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53185521
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOCCNC(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1
InChIInChI=1S/C17H22N4O2/c1-12-3-5-13(6-4-12)16-14-11-21(9-7-15(14)19-20-16)17(22)18-8-10-23-2/h3-6H,7-11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyXTQPNWCEHVLUGT-UHFFFAOYSA-N
XLogP2.10
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.10
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-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 53185521) is N-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is COCCNC(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is XTQPNWCEHVLUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-3-5-13(6-4-12)16-14-11-21(9-7-15(14)19-20-16)17(22)18-8-10-23-2/h3-6H,7-11H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.10, 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-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53185521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).