N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide

C11H20N4O — CID 102801078

IUPACN-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCCCCCN
InChIInChI=1S/C11H20N4O/c1-9-10(8-15(2)14-9)11(16)13-7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyJMLJDRZCFJVZBP-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.59
Rot. Bonds6

About N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide

N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102801078) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102801078
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCCCCCN
InChIInChI=1S/C11H20N4O/c1-9-10(8-15(2)14-9)11(16)13-7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyJMLJDRZCFJVZBP-UHFFFAOYSA-N
XLogP0.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106845570
5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 103790923
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
N-[3-(2-chloroethoxy)propyl]-1,3-dimethylpyrazole-4-carboxamide
CID 106306554
N-(2-tert-butylsulfanylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 74237119
N-(2-azidoethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802240
3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
CID 103919211
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide
CID 83617588
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide (CID 102801078) is N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCCCCCN.
What is the InChIKey of N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is JMLJDRZCFJVZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-10(8-15(2)14-9)11(16)13-7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,16).
What are the key properties of N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102801078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).