5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C21H28N4O2 — CID 46076209

IUPAC5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCCCNC(=O)c1n[nH]c2c1CN(C(=O)c1cc(C)cc(C)c1)CC2
InChIInChI=1S/C21H28N4O2/c1-4-5-6-8-22-20(26)19-17-13-25(9-7-18(17)23-24-19)21(27)16-11-14(2)10-15(3)12-16/h10-12H,4-9,13H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyWUDULGJJDWPQFH-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.15
Rot. Bonds6

About 5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46076209) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46076209
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCCCNC(=O)c1n[nH]c2c1CN(C(=O)c1cc(C)cc(C)c1)CC2
InChIInChI=1S/C21H28N4O2/c1-4-5-6-8-22-20(26)19-17-13-25(9-7-18(17)23-24-19)21(27)16-11-14(2)10-15(3)12-16/h10-12H,4-9,13H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyWUDULGJJDWPQFH-UHFFFAOYSA-N
XLogP3.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874527
5-(2-methoxyacetyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076223
N-butyl-5-(1-methylpyrrole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874526
tert-butyl 3-(butylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 82585306
5-(3-chlorobenzoyl)-N-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914428
5-(2,5-dimethylbenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914461
(3,5-dimethylphenyl)-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076122
5-(2-fluorobenzoyl)-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873589
5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914453
5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874633
5-(3,5-difluorobenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914468
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576721

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46076209) is 5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCCCCNC(=O)c1n[nH]c2c1CN(C(=O)c1cc(C)cc(C)c1)CC2.
What is the InChIKey of 5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is WUDULGJJDWPQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-5-6-8-22-20(26)19-17-13-25(9-7-18(17)23-24-19)21(27)16-11-14(2)10-15(3)12-16/h10-12H,4-9,13H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of 5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46076209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).