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

C9H16N4O2 — CID 82547322

IUPAC5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C9H16N4O2/c1-13-8(10)7(6-12-13)9(14)11-4-3-5-15-2/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyUIQWPQZQXWHTRC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.23
Rot. Bonds5

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

5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide (PubChem CID 82547322) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
PubChem CID82547322
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C9H16N4O2/c1-13-8(10)7(6-12-13)9(14)11-4-3-5-15-2/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyUIQWPQZQXWHTRC-UHFFFAOYSA-N
XLogP-0.23
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.23
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide (CID 82547322) is 5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide is COCCCNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is UIQWPQZQXWHTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-13-8(10)7(6-12-13)9(14)11-4-3-5-15-2/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of 5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 82547322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).