5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide

C14H26N4O — CID 114536632

IUPAC5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
SMILESCc1cc(C)n(CCCNC(=O)CCC(C)CN)n1
InChIInChI=1S/C14H26N4O/c1-11(10-15)5-6-14(19)16-7-4-8-18-13(3)9-12(2)17-18/h9,11H,4-8,10,15H2,1-3H3,(H,16,19)
InChIKeyDOZGVDFETUFAER-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.38
Rot. Bonds8

About 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide

5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide (PubChem CID 114536632) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
PubChem CID114536632
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
SMILESCc1cc(C)n(CCCNC(=O)CCC(C)CN)n1
InChIInChI=1S/C14H26N4O/c1-11(10-15)5-6-14(19)16-7-4-8-18-13(3)9-12(2)17-18/h9,11H,4-8,10,15H2,1-3H3,(H,16,19)
InChIKeyDOZGVDFETUFAER-UHFFFAOYSA-N
XLogP1.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
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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Related Compounds

6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374
N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
CID 115573473
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3-dimethylbutanamide
CID 115750968
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 115737982
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 47011067
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide
CID 114538986
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide (CID 114536632) is 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide is Cc1cc(C)n(CCCNC(=O)CCC(C)CN)n1.
What is the InChIKey of 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide?
The InChIKey is DOZGVDFETUFAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(10-15)5-6-14(19)16-7-4-8-18-13(3)9-12(2)17-18/h9,11H,4-8,10,15H2,1-3H3,(H,16,19).
What are the key properties of 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide?
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide has a molecular weight of 266.39 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide is sourced from PubChem (CID 114536632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).