N-hexyl-5-methylpyrazole-1-carboxamide

C11H19N3O — CID 134862037

IUPACN-hexyl-5-methylpyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1nccc1C
InChIInChI=1S/C11H19N3O/c1-3-4-5-6-8-12-11(15)14-10(2)7-9-13-14/h7,9H,3-6,8H2,1-2H3,(H,12,15)
InChIKeyZAIZGBQIVDJOCJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.33
Rot. Bonds5

About N-hexyl-5-methylpyrazole-1-carboxamide

N-hexyl-5-methylpyrazole-1-carboxamide (PubChem CID 134862037) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-hexyl-5-methylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-methylpyrazole-1-carboxamide
PubChem CID134862037
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-hexyl-5-methylpyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1nccc1C
InChIInChI=1S/C11H19N3O/c1-3-4-5-6-8-12-11(15)14-10(2)7-9-13-14/h7,9H,3-6,8H2,1-2H3,(H,12,15)
InChIKeyZAIZGBQIVDJOCJ-UHFFFAOYSA-N
XLogP2.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-hexyl-5-methylpyrazole-1-carboxamide?
The IUPAC name of N-hexyl-5-methylpyrazole-1-carboxamide (CID 134862037) is N-hexyl-5-methylpyrazole-1-carboxamide.
What is the SMILES notation for N-hexyl-5-methylpyrazole-1-carboxamide?
The canonical SMILES for N-hexyl-5-methylpyrazole-1-carboxamide is CCCCCCNC(=O)n1nccc1C.
What is the InChIKey of N-hexyl-5-methylpyrazole-1-carboxamide?
The InChIKey is ZAIZGBQIVDJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-4-5-6-8-12-11(15)14-10(2)7-9-13-14/h7,9H,3-6,8H2,1-2H3,(H,12,15).
What are the key properties of N-hexyl-5-methylpyrazole-1-carboxamide?
N-hexyl-5-methylpyrazole-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-methylpyrazole-1-carboxamide is sourced from PubChem (CID 134862037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).