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

C18H22ClN5O3 — CID 121445216

IUPAC5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCCCON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C18H22ClN5O3/c1-3-9-27-23(2)17(25)16-14-11-24(8-7-15(14)21-22-16)18(26)20-13-6-4-5-12(19)10-13/h4-6,10H,3,7-9,11H2,1-2H3,(H,20,26)(H,21,22)
InChIKeyDLGFCURKTWRXHA-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.07
Rot. Bonds5

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

5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 121445216) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID121445216
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC Name5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCCCON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C18H22ClN5O3/c1-3-9-27-23(2)17(25)16-14-11-24(8-7-15(14)21-22-16)18(26)20-13-6-4-5-12(19)10-13/h4-6,10H,3,7-9,11H2,1-2H3,(H,20,26)(H,21,22)
InChIKeyDLGFCURKTWRXHA-UHFFFAOYSA-N
XLogP3.07
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.07
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-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 121445216) is 5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is CCCON(C)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is DLGFCURKTWRXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c1-3-9-27-23(2)17(25)16-14-11-24(8-7-15(14)21-22-16)18(26)20-13-6-4-5-12(19)10-13/h4-6,10H,3,7-9,11H2,1-2H3,(H,20,26)(H,21,22).
What are the key properties of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 391.86 g/mol, XLogP of 3.07, 5 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-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 121445216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).