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

C17H20ClN5O3 — CID 121445217

IUPAC5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCCON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H20ClN5O3/c1-3-26-22(2)16(24)15-13-10-23(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)
InChIKeyITDSZDNNHJKPGA-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.68
Rot. Bonds4

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

5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 121445217) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID121445217
Molecular FormulaC17H20ClN5O3
Molecular Weight377.83 g/mol
Exact Mass377.13
IUPAC Name5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCCON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H20ClN5O3/c1-3-26-22(2)16(24)15-13-10-23(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)
InChIKeyITDSZDNNHJKPGA-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 121445217) is 5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is CCON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is ITDSZDNNHJKPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3/c1-3-26-22(2)16(24)15-13-10-23(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-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-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-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 121445217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).