N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide

C16H28N4O — CID 78879680

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCCCN2CC(C)CC(C)C2)n[nH]1
InChIInChI=1S/C16H28N4O/c1-4-14-9-15(19-18-14)16(21)17-6-5-7-20-10-12(2)8-13(3)11-20/h9,12-13H,4-8,10-11H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyPILSCBZVEOZYRN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.07
Rot. Bonds6

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 78879680) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID78879680
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCCCN2CC(C)CC(C)C2)n[nH]1
InChIInChI=1S/C16H28N4O/c1-4-14-9-15(19-18-14)16(21)17-6-5-7-20-10-12(2)8-13(3)11-20/h9,12-13H,4-8,10-11H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyPILSCBZVEOZYRN-UHFFFAOYSA-N
XLogP2.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.07
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-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide
CID 94823486
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide
CID 47038122
2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119851279
5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 78862508
N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 74232639
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55742136
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
5-tert-butyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119393895
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
CID 55811483

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide (CID 78879680) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCCCN2CC(C)CC(C)C2)n[nH]1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is PILSCBZVEOZYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-14-9-15(19-18-14)16(21)17-6-5-7-20-10-12(2)8-13(3)11-20/h9,12-13H,4-8,10-11H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78879680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).