2-butyl-N-(1H-pyrazol-4-yl)octanamide

C15H27N3O — CID 139365172

IUPAC2-butyl-N-(1H-pyrazol-4-yl)octanamide
SMILESCCCCCCC(CCCC)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C15H27N3O/c1-3-5-7-8-10-13(9-6-4-2)15(19)18-14-11-16-17-12-14/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLODFAFNAYIVDTR-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.12
Rot. Bonds10

About 2-butyl-N-(1H-pyrazol-4-yl)octanamide

2-butyl-N-(1H-pyrazol-4-yl)octanamide (PubChem CID 139365172) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-butyl-N-(1H-pyrazol-4-yl)octanamide.

Molecular Properties

Compound Name2-butyl-N-(1H-pyrazol-4-yl)octanamide
PubChem CID139365172
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-butyl-N-(1H-pyrazol-4-yl)octanamide
SMILESCCCCCCC(CCCC)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C15H27N3O/c1-3-5-7-8-10-13(9-6-4-2)15(19)18-14-11-16-17-12-14/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLODFAFNAYIVDTR-UHFFFAOYSA-N
XLogP4.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
CID 154844606
2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429525
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60506980
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932742
4,4-difluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 81932743
N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112686196
trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 126793656
3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 126794159
3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 126795469
2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 127000229

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(1H-pyrazol-4-yl)octanamide?
The IUPAC name of 2-butyl-N-(1H-pyrazol-4-yl)octanamide (CID 139365172) is 2-butyl-N-(1H-pyrazol-4-yl)octanamide.
What is the SMILES notation for 2-butyl-N-(1H-pyrazol-4-yl)octanamide?
The canonical SMILES for 2-butyl-N-(1H-pyrazol-4-yl)octanamide is CCCCCCC(CCCC)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-butyl-N-(1H-pyrazol-4-yl)octanamide?
The InChIKey is LODFAFNAYIVDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-5-7-8-10-13(9-6-4-2)15(19)18-14-11-16-17-12-14/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-butyl-N-(1H-pyrazol-4-yl)octanamide?
2-butyl-N-(1H-pyrazol-4-yl)octanamide has a molecular weight of 265.40 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(1H-pyrazol-4-yl)octanamide is sourced from PubChem (CID 139365172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).