4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide

C13H24N4O — CID 66124652

IUPAC4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide
SMILESCCCCCCNC(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C13H24N4O/c1-4-6-7-8-9-15-13(18)12-11(14)10(3)16-17(12)5-2/h4-9,14H2,1-3H3,(H,15,18)
InChIKeyXELBZBGKKDXXQD-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.10
Rot. Bonds7

About 4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide

4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide (PubChem CID 66124652) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide
PubChem CID66124652
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide
SMILESCCCCCCNC(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C13H24N4O/c1-4-6-7-8-9-15-13(18)12-11(14)10(3)16-17(12)5-2/h4-9,14H2,1-3H3,(H,15,18)
InChIKeyXELBZBGKKDXXQD-UHFFFAOYSA-N
XLogP2.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide
CID 66123504
4-amino-1-ethyl-3-methyl-N-(3-propoxypropyl)pyrazole-5-carboxamide
CID 82950007
4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpyrazole-5-carboxamide
CID 106308564
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide
CID 66125449
4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide
CID 113493841
4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide
CID 66123485
4-amino-1-ethyl-3-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-5-carboxamide
CID 114187167
4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 113466215
4-amino-1-ethyl-3-methyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide
CID 66124433
4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 66124598
4-amino-N-cyclobutyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66124672
4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 106274694

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide (CID 66124652) is 4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide is CCCCCCNC(=O)c1c(N)c(C)nn1CC.
What is the InChIKey of 4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide?
The InChIKey is XELBZBGKKDXXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-6-7-8-9-15-13(18)12-11(14)10(3)16-17(12)5-2/h4-9,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66124652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).