N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide

C18H25N3O2 — CID 134022419

IUPACN-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
SMILESCCC(C)n1nccc1NC(=O)CCCOc1ccccc1C
InChIInChI=1S/C18H25N3O2/c1-4-15(3)21-17(11-12-19-21)20-18(22)10-7-13-23-16-9-6-5-8-14(16)2/h5-6,8-9,11-12,15H,4,7,10,13H2,1-3H3,(H,20,22)
InChIKeyRJAKNIZMWSEEOC-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.96
Rot. Bonds8

About N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide

N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide (PubChem CID 134022419) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
PubChem CID134022419
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
SMILESCCC(C)n1nccc1NC(=O)CCCOc1ccccc1C
InChIInChI=1S/C18H25N3O2/c1-4-15(3)21-17(11-12-19-21)20-18(22)10-7-13-23-16-9-6-5-8-14(16)2/h5-6,8-9,11-12,15H,4,7,10,13H2,1-3H3,(H,20,22)
InChIKeyRJAKNIZMWSEEOC-UHFFFAOYSA-N
XLogP3.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022496
3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 78772438
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 78778333
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
CID 61343880
N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 78840816
(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925651
4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide
CID 110473898
5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide
CID 134013424
N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 60968243
4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30887020
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide (CID 134022419) is N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide is CCC(C)n1nccc1NC(=O)CCCOc1ccccc1C.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide?
The InChIKey is RJAKNIZMWSEEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-15(3)21-17(11-12-19-21)20-18(22)10-7-13-23-16-9-6-5-8-14(16)2/h5-6,8-9,11-12,15H,4,7,10,13H2,1-3H3,(H,20,22).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide?
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide has a molecular weight of 315.42 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 134022419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).