N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide

C11H20N4O — CID 107206762

IUPACN-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(C)CCCCCN
InChIInChI=1S/C11H20N4O/c1-9-10(8-13-14-9)11(16)15(2)7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyPZLZJTXYBRCNHE-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.92
Rot. Bonds6

About N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide

N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 107206762) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID107206762
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(C)CCCCCN
InChIInChI=1S/C11H20N4O/c1-9-10(8-13-14-9)11(16)15(2)7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyPZLZJTXYBRCNHE-UHFFFAOYSA-N
XLogP0.92
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.92
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-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107206235
N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 62735140
5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43159518
N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
CID 107206627
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
N-(5-aminopentyl)-N-methylquinoxaline-5-carboxamide
CID 107206630
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 83617756
N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide
CID 107206681
N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119454691
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 107206783

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide (CID 107206762) is N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N(C)CCCCCN.
What is the InChIKey of N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is PZLZJTXYBRCNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-10(8-13-14-9)11(16)15(2)7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107206762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).