2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide

C25H47N3O — CID 19536880

IUPAC2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(C)n1ccc(C)n1
InChIInChI=1S/C25H47N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-25(29)24(3)28-22-20-23(2)27-28/h20,22,24H,4-19,21H2,1-3H3,(H,26,29)
InChIKeyNRVVWECLYIRDAT-UHFFFAOYSA-N
MW405.67 g/mol
LogP7.13
Rot. Bonds19

About 2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide

2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide (PubChem CID 19536880) has the molecular formula C25H47N3O and a molecular weight of 405.67 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide
PubChem CID19536880
Molecular FormulaC25H47N3O
Molecular Weight405.67 g/mol
Exact Mass405.37
IUPAC Name2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(C)n1ccc(C)n1
InChIInChI=1S/C25H47N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-25(29)24(3)28-22-20-23(2)27-28/h20,22,24H,4-19,21H2,1-3H3,(H,26,29)
InChIKeyNRVVWECLYIRDAT-UHFFFAOYSA-N
XLogP7.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19537121
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949
2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19536946
N-cyclopentyl-2-(3-methylpyrazol-1-yl)propanamide
CID 19534188
2-(4-chloro-5-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19533617
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899
2-(3-methoxy-4-nitropyrazol-1-yl)-N-octadecylpropanamide
CID 19528152
2-(2-carbamothioylpyrrol-1-yl)-N-pentylpropanamide
CID 114654145
2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60783044
tert-butyl 2-(3-methylpyrazol-1-yl)propanoate
CID 66338483
N-butyl-2-(3-cyano-1,2,4-triazol-1-yl)propanamide
CID 55210277
3-amino-N-hexylpyrazole-1-carboxamide
CID 134862016

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide (CID 19536880) is 2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide is CCCCCCCCCCCCCCCCCCNC(=O)C(C)n1ccc(C)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide?
The InChIKey is NRVVWECLYIRDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-25(29)24(3)28-22-20-23(2)27-28/h20,22,24H,4-19,21H2,1-3H3,(H,26,29).
What are the key properties of 2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide?
2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide has a molecular weight of 405.67 g/mol, XLogP of 7.13, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide is sourced from PubChem (CID 19536880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).