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

C20H26N4O2 — CID 42874527

IUPACN-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1n[nH]c2c1CN(C(=O)c1cc(C)cc(C)c1)CC2
InChIInChI=1S/C20H26N4O2/c1-4-5-7-21-19(25)18-16-12-24(8-6-17(16)22-23-18)20(26)15-10-13(2)9-14(3)11-15/h9-11H,4-8,12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyWTLKJPPJVJYGTJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.75
Rot. Bonds5

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

N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 42874527) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID42874527
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1n[nH]c2c1CN(C(=O)c1cc(C)cc(C)c1)CC2
InChIInChI=1S/C20H26N4O2/c1-4-5-7-21-19(25)18-16-12-24(8-6-17(16)22-23-18)20(26)15-10-13(2)9-14(3)11-15/h9-11H,4-8,12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyWTLKJPPJVJYGTJ-UHFFFAOYSA-N
XLogP2.75
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.75
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

5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076209
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-(2-methoxyacetyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076223
5-(2,5-dimethylbenzoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914461
5-(3-chlorobenzoyl)-N-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914428
(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-(cyclobutanecarbonyl)-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873553
N-butyl-3,5-dimethylbenzamide
CID 17190927
5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874633

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 42874527) is N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCCCNC(=O)c1n[nH]c2c1CN(C(=O)c1cc(C)cc(C)c1)CC2.
What is the InChIKey of N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is WTLKJPPJVJYGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-5-7-21-19(25)18-16-12-24(8-6-17(16)22-23-18)20(26)15-10-13(2)9-14(3)11-15/h9-11H,4-8,12H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 42874527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).