5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

C17H20ClN5O4 — CID 121445212

IUPAC5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCN(OCCO)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H20ClN5O4/c1-22(27-8-7-24)16(25)15-13-10-23(6-5-14(13)20-21-15)17(26)19-12-4-2-3-11(18)9-12/h2-4,9,24H,5-8,10H2,1H3,(H,19,26)(H,20,21)
InChIKeyBKSGLBBHTPMRHO-UHFFFAOYSA-N
MW393.83 g/mol
LogP1.65
Rot. Bonds5

About 5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 121445212) has the molecular formula C17H20ClN5O4 and a molecular weight of 393.83 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID121445212
Molecular FormulaC17H20ClN5O4
Molecular Weight393.83 g/mol
Exact Mass393.12
IUPAC Name5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCN(OCCO)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H20ClN5O4/c1-22(27-8-7-24)16(25)15-13-10-23(6-5-14(13)20-21-15)17(26)19-12-4-2-3-11(18)9-12/h2-4,9,24H,5-8,10H2,1H3,(H,19,26)(H,20,21)
InChIKeyBKSGLBBHTPMRHO-UHFFFAOYSA-N
XLogP1.65
TPSA110.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-hydroxyethoxy)-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-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 121445212) is 5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-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-(2-hydroxyethoxy)-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-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is CN(OCCO)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is BKSGLBBHTPMRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O4/c1-22(27-8-7-24)16(25)15-13-10-23(6-5-14(13)20-21-15)17(26)19-12-4-2-3-11(18)9-12/h2-4,9,24H,5-8,10H2,1H3,(H,19,26)(H,20,21).
What are the key properties of 5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 393.83 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 121445212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).