5-amino-N-hexylpyrazole-1-carboxamide

C10H18N4O — CID 132597463

IUPAC5-amino-N-hexylpyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1nccc1N
InChIInChI=1S/C10H18N4O/c1-2-3-4-5-7-12-10(15)14-9(11)6-8-13-14/h6,8H,2-5,7,11H2,1H3,(H,12,15)
InChIKeyIXFOPMZLYSVHCE-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.60
Rot. Bonds5

About 5-amino-N-hexylpyrazole-1-carboxamide

5-amino-N-hexylpyrazole-1-carboxamide (PubChem CID 132597463) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-amino-N-hexylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-hexylpyrazole-1-carboxamide
PubChem CID132597463
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-amino-N-hexylpyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1nccc1N
InChIInChI=1S/C10H18N4O/c1-2-3-4-5-7-12-10(15)14-9(11)6-8-13-14/h6,8H,2-5,7,11H2,1H3,(H,12,15)
InChIKeyIXFOPMZLYSVHCE-UHFFFAOYSA-N
XLogP1.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-hexylpyrazole-1-carboxamide?
The IUPAC name of 5-amino-N-hexylpyrazole-1-carboxamide (CID 132597463) is 5-amino-N-hexylpyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-hexylpyrazole-1-carboxamide?
The canonical SMILES for 5-amino-N-hexylpyrazole-1-carboxamide is CCCCCCNC(=O)n1nccc1N.
What is the InChIKey of 5-amino-N-hexylpyrazole-1-carboxamide?
The InChIKey is IXFOPMZLYSVHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-3-4-5-7-12-10(15)14-9(11)6-8-13-14/h6,8H,2-5,7,11H2,1H3,(H,12,15).
What are the key properties of 5-amino-N-hexylpyrazole-1-carboxamide?
5-amino-N-hexylpyrazole-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-hexylpyrazole-1-carboxamide is sourced from PubChem (CID 132597463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).