5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide

C12H22N4O3 — CID 104587708

IUPAC5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
SMILESCOCCOCCCCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H22N4O3/c1-16-11(13)10(9-15-16)12(17)14-5-3-4-6-19-8-7-18-2/h9H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyMTBDYXARDDJNES-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.18
Rot. Bonds9

About 5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide (PubChem CID 104587708) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
PubChem CID104587708
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
SMILESCOCCOCCCCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H22N4O3/c1-16-11(13)10(9-15-16)12(17)14-5-3-4-6-19-8-7-18-2/h9H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyMTBDYXARDDJNES-UHFFFAOYSA-N
XLogP0.18
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 104592175
5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
CID 115330667
5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 75397489
5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
CID 113355612
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide
CID 104600874

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide (CID 104587708) is 5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide is COCCOCCCCNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MTBDYXARDDJNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-16-11(13)10(9-15-16)12(17)14-5-3-4-6-19-8-7-18-2/h9H,3-8,13H2,1-2H3,(H,14,17).
What are the key properties of 5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 104587708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).