5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

C17H20ClN5O3 — CID 121437168

IUPAC5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCCN(OC)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H20ClN5O3/c1-3-23(26-2)16(24)15-13-10-22(8-7-14(13)20-21-15)17(25)19-12-6-4-5-11(18)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyTXNPVKHIXQEXMC-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.68
Rot. Bonds4

About 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 121437168) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID121437168
Molecular FormulaC17H20ClN5O3
Molecular Weight377.83 g/mol
Exact Mass377.13
IUPAC Name5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCCN(OC)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H20ClN5O3/c1-3-23(26-2)16(24)15-13-10-22(8-7-14(13)20-21-15)17(25)19-12-6-4-5-11(18)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyTXNPVKHIXQEXMC-UHFFFAOYSA-N
XLogP2.68
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 121437168) is 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is CCN(OC)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is TXNPVKHIXQEXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3/c1-3-23(26-2)16(24)15-13-10-22(8-7-14(13)20-21-15)17(25)19-12-6-4-5-11(18)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,19,25)(H,20,21).
What are the key properties of 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 377.83 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 121437168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).