5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide

C12H22N4O3 — CID 115330607

IUPAC5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
SMILESCOCCCN(CCOC)C(=O)c1cnn(C)c1N
InChIInChI=1S/C12H22N4O3/c1-15-11(13)10(9-14-15)12(17)16(6-8-19-3)5-4-7-18-2/h9H,4-8,13H2,1-3H3
InChIKeyLYISUDFDCFVUCW-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.13
Rot. Bonds8

About 5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide (PubChem CID 115330607) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
PubChem CID115330607
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
SMILESCOCCCN(CCOC)C(=O)c1cnn(C)c1N
InChIInChI=1S/C12H22N4O3/c1-15-11(13)10(9-14-15)12(17)16(6-8-19-3)5-4-7-18-2/h9H,4-8,13H2,1-3H3
InChIKeyLYISUDFDCFVUCW-UHFFFAOYSA-N
XLogP0.13
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide (CID 115330607) is 5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide is COCCCN(CCOC)C(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is LYISUDFDCFVUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-15-11(13)10(9-14-15)12(17)16(6-8-19-3)5-4-7-18-2/h9H,4-8,13H2,1-3H3.
What are the key properties of 5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 0.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 115330607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).