4-amino-N-hexyl-1-methylpyrazole-3-carboxamide

C11H20N4O — CID 65354108

IUPAC4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
SMILESCCCCCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H20N4O/c1-3-4-5-6-7-13-11(16)10-9(12)8-15(2)14-10/h8H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyFIRSJIUJQNAXMU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.31
Rot. Bonds6

About 4-amino-N-hexyl-1-methylpyrazole-3-carboxamide

4-amino-N-hexyl-1-methylpyrazole-3-carboxamide (PubChem CID 65354108) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-N-hexyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
PubChem CID65354108
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
SMILESCCCCCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H20N4O/c1-3-4-5-6-7-13-11(16)10-9(12)8-15(2)14-10/h8H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyFIRSJIUJQNAXMU-UHFFFAOYSA-N
XLogP1.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.31
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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Related Compounds

1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
1-methyl-4-nitro-N-octadecylpyrazole-3-carboxamide
CID 19263859
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide
CID 65354482
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 65353943
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hexyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-hexyl-1-methylpyrazole-3-carboxamide (CID 65354108) is 4-amino-N-hexyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-hexyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-hexyl-1-methylpyrazole-3-carboxamide is CCCCCCNC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-hexyl-1-methylpyrazole-3-carboxamide?
The InChIKey is FIRSJIUJQNAXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-5-6-7-13-11(16)10-9(12)8-15(2)14-10/h8H,3-7,12H2,1-2H3,(H,13,16).
What are the key properties of 4-amino-N-hexyl-1-methylpyrazole-3-carboxamide?
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).