6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide

C14H26N4O — CID 115597233

IUPAC6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
SMILESCc1cc(C)n(CCCNC(=O)CCCCCN)n1
InChIInChI=1S/C14H26N4O/c1-12-11-13(2)18(17-12)10-6-9-16-14(19)7-4-3-5-8-15/h11H,3-10,15H2,1-2H3,(H,16,19)
InChIKeyDTHQDWHSTSHHTE-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.53
Rot. Bonds9

About 6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide

6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide (PubChem CID 115597233) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
PubChem CID115597233
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
SMILESCc1cc(C)n(CCCNC(=O)CCCCCN)n1
InChIInChI=1S/C14H26N4O/c1-12-11-13(2)18(17-12)10-6-9-16-14(19)7-4-3-5-8-15/h11H,3-10,15H2,1-2H3,(H,16,19)
InChIKeyDTHQDWHSTSHHTE-UHFFFAOYSA-N
XLogP1.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.53
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

5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
CID 114536632
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
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 115737982
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
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]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 78820641
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide
CID 71782924
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethoxy)acetamide
CID 103601796

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide?
The IUPAC name of 6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide (CID 115597233) is 6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide.
What is the SMILES notation for 6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide?
The canonical SMILES for 6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide is Cc1cc(C)n(CCCNC(=O)CCCCCN)n1.
What is the InChIKey of 6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide?
The InChIKey is DTHQDWHSTSHHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12-11-13(2)18(17-12)10-6-9-16-14(19)7-4-3-5-8-15/h11H,3-10,15H2,1-2H3,(H,16,19).
What are the key properties of 6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide?
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide has a molecular weight of 266.39 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide is sourced from PubChem (CID 115597233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).