4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide

C12H22N4O2 — CID 66123504

IUPAC4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCCCCOC
InChIInChI=1S/C12H22N4O2/c1-4-16-11(10(13)9(2)15-16)12(17)14-7-5-6-8-18-3/h4-8,13H2,1-3H3,(H,14,17)
InChIKeyCJEDZUBMQVKQJJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.95
Rot. Bonds7

About 4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide

4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide (PubChem CID 66123504) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide
PubChem CID66123504
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCCCCOC
InChIInChI=1S/C12H22N4O2/c1-4-16-11(10(13)9(2)15-16)12(17)14-7-5-6-8-18-3/h4-8,13H2,1-3H3,(H,14,17)
InChIKeyCJEDZUBMQVKQJJ-UHFFFAOYSA-N
XLogP0.95
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide
CID 66124652
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-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 66123490
4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 113466215
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-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide (CID 66123504) is 4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)NCCCCOC.
What is the InChIKey of 4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide?
The InChIKey is CJEDZUBMQVKQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-16-11(10(13)9(2)15-16)12(17)14-7-5-6-8-18-3/h4-8,13H2,1-3H3,(H,14,17).
What are the key properties of 4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66123504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).