4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide

C13H24N4O — CID 113287247

IUPAC4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCCCC(C)C)c1N
InChIInChI=1S/C13H24N4O/c1-9(2)7-5-6-8-15-13(18)12-11(14)10(3)16-17(12)4/h9H,5-8,14H2,1-4H3,(H,15,18)
InChIKeyHCXMXNWCWDBFAD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.87
Rot. Bonds6

About 4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide

4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide (PubChem CID 113287247) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide
PubChem CID113287247
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCCCC(C)C)c1N
InChIInChI=1S/C13H24N4O/c1-9(2)7-5-6-8-15-13(18)12-11(14)10(3)16-17(12)4/h9H,5-8,14H2,1-4H3,(H,15,18)
InChIKeyHCXMXNWCWDBFAD-UHFFFAOYSA-N
XLogP1.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.87
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 4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide (CID 113287247) is 4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCCCC(C)C)c1N.
What is the InChIKey of 4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide?
The InChIKey is HCXMXNWCWDBFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)7-5-6-8-15-13(18)12-11(14)10(3)16-17(12)4/h9H,5-8,14H2,1-4H3,(H,15,18).
What are the key properties of 4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide?
4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide is sourced from PubChem (CID 113287247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).