N-hexyl-2-pyrazol-1-ylbenzamide

C16H21N3O — CID 47213393

IUPACN-hexyl-2-pyrazol-1-ylbenzamide
SMILESCCCCCCNC(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C16H21N3O/c1-2-3-4-7-11-17-16(20)14-9-5-6-10-15(14)19-13-8-12-18-19/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,17,20)
InChIKeyOGKHONQRNGZQHO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.18
Rot. Bonds7

About N-hexyl-2-pyrazol-1-ylbenzamide

N-hexyl-2-pyrazol-1-ylbenzamide (PubChem CID 47213393) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-hexyl-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-hexyl-2-pyrazol-1-ylbenzamide
PubChem CID47213393
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-hexyl-2-pyrazol-1-ylbenzamide
SMILESCCCCCCNC(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C16H21N3O/c1-2-3-4-7-11-17-16(20)14-9-5-6-10-15(14)19-13-8-12-18-19/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,17,20)
InChIKeyOGKHONQRNGZQHO-UHFFFAOYSA-N
XLogP3.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.18
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-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
CID 86823053
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-pentyl-2-piperazin-1-ylbenzamide
CID 35752714
3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide
CID 78888408
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
CID 86824371
2-chloro-N-undecylbenzamide
CID 3373978
N-hexyl-2-methylbenzamide
CID 3017102
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 131928417
N-butyl-5-tert-butyl-2-hydroxy-3-pyrazol-1-ylbenzamide
CID 126701320
2-amino-N-dodecylbenzamide
CID 54099396
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-hexyl-2-pyrazol-1-ylbenzamide (CID 47213393) is N-hexyl-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-hexyl-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-hexyl-2-pyrazol-1-ylbenzamide is CCCCCCNC(=O)c1ccccc1-n1cccn1.
What is the InChIKey of N-hexyl-2-pyrazol-1-ylbenzamide?
The InChIKey is OGKHONQRNGZQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-3-4-7-11-17-16(20)14-9-5-6-10-15(14)19-13-8-12-18-19/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,17,20).
What are the key properties of N-hexyl-2-pyrazol-1-ylbenzamide?
N-hexyl-2-pyrazol-1-ylbenzamide has a molecular weight of 271.36 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 47213393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).