5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide

C14H26N4O — CID 106236870

IUPAC5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide
SMILESCCC(CC)n1ccc(CNCCCCC(N)=O)n1
InChIInChI=1S/C14H26N4O/c1-3-13(4-2)18-10-8-12(17-18)11-16-9-6-5-7-14(15)19/h8,10,13,16H,3-7,9,11H2,1-2H3,(H2,15,19)
InChIKeyJDHYJXWGBPFSKZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.99
Rot. Bonds10

About 5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide

5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide (PubChem CID 106236870) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide
PubChem CID106236870
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide
SMILESCCC(CC)n1ccc(CNCCCCC(N)=O)n1
InChIInChI=1S/C14H26N4O/c1-3-13(4-2)18-10-8-12(17-18)11-16-9-6-5-7-14(15)19/h8,10,13,16H,3-7,9,11H2,1-2H3,(H2,15,19)
InChIKeyJDHYJXWGBPFSKZ-UHFFFAOYSA-N
XLogP1.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.99
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

methyl 2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propanoate
CID 64801059
3-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 106310130
N-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethyl]methanesulfonamide
CID 64801421
2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
CID 64801986
2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide
CID 106237971
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
1-(1-pentan-3-ylpyrazol-3-yl)decan-2-one
CID 114976149
1-(1-pentan-3-ylpyrazol-3-yl)octan-2-one
CID 114976201
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64800508
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 64800428
1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one
CID 116558310

Frequently Asked Questions

What is the IUPAC name of 5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide?
The IUPAC name of 5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide (CID 106236870) is 5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide.
What is the SMILES notation for 5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide?
The canonical SMILES for 5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide is CCC(CC)n1ccc(CNCCCCC(N)=O)n1.
What is the InChIKey of 5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide?
The InChIKey is JDHYJXWGBPFSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-13(4-2)18-10-8-12(17-18)11-16-9-6-5-7-14(15)19/h8,10,13,16H,3-7,9,11H2,1-2H3,(H2,15,19).
What are the key properties of 5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide?
5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide has a molecular weight of 266.39 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide is sourced from PubChem (CID 106236870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).