5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C19H23ClN4O3 — CID 46076048

IUPAC5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1n[nH]c2c1CN(C(=O)Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C19H23ClN4O3/c1-27-9-3-7-21-19(26)18-15-12-24(8-6-16(15)22-23-18)17(25)11-13-4-2-5-14(20)10-13/h2,4-5,10H,3,6-9,11-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyNLHWQDZBPXEKBR-UHFFFAOYSA-N
MW390.87 g/mol
LogP1.96
Rot. Bonds7

About 5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46076048) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46076048
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1n[nH]c2c1CN(C(=O)Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C19H23ClN4O3/c1-27-9-3-7-21-19(26)18-15-12-24(8-6-16(15)22-23-18)17(25)11-13-4-2-5-14(20)10-13/h2,4-5,10H,3,6-9,11-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyNLHWQDZBPXEKBR-UHFFFAOYSA-N
XLogP1.96
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46076048) is 5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is COCCCNC(=O)c1n[nH]c2c1CN(C(=O)Cc1cccc(Cl)c1)CC2.
What is the InChIKey of 5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NLHWQDZBPXEKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-27-9-3-7-21-19(26)18-15-12-24(8-6-16(15)22-23-18)17(25)11-13-4-2-5-14(20)10-13/h2,4-5,10H,3,6-9,11-12H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46076048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).