5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide

C13H24N4O — CID 106234065

IUPAC5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
SMILESCC(C)(C)n1cc(CNCCCCC(N)=O)cn1
InChIInChI=1S/C13H24N4O/c1-13(2,3)17-10-11(9-16-17)8-15-7-5-4-6-12(14)18/h9-10,15H,4-8H2,1-3H3,(H2,14,18)
InChIKeyMCHYNUVGXBIECC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.38
Rot. Bonds7

About 5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide

5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide (PubChem CID 106234065) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
PubChem CID106234065
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
SMILESCC(C)(C)n1cc(CNCCCCC(N)=O)cn1
InChIInChI=1S/C13H24N4O/c1-13(2,3)17-10-11(9-16-17)8-15-7-5-4-6-12(14)18/h9-10,15H,4-8H2,1-3H3,(H2,14,18)
InChIKeyMCHYNUVGXBIECC-UHFFFAOYSA-N
XLogP1.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.38
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-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide?
The IUPAC name of 5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide (CID 106234065) is 5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide.
What is the SMILES notation for 5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide?
The canonical SMILES for 5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide is CC(C)(C)n1cc(CNCCCCC(N)=O)cn1.
What is the InChIKey of 5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide?
The InChIKey is MCHYNUVGXBIECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)17-10-11(9-16-17)8-15-7-5-4-6-12(14)18/h9-10,15H,4-8H2,1-3H3,(H2,14,18).
What are the key properties of 5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide?
5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide has a molecular weight of 252.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide is sourced from PubChem (CID 106234065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).