N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide

C15H18FN3O2 — CID 115589865

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H18FN3O2/c1-15(2,3)12-8-13(19-18-12)17-14(20)9-21-11-6-4-10(16)5-7-11/h4-8H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyBHTRBEKITYRUQQ-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.86
Rot. Bonds4

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 115589865) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID115589865
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H18FN3O2/c1-15(2,3)12-8-13(19-18-12)17-14(20)9-21-11-6-4-10(16)5-7-11/h4-8H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyBHTRBEKITYRUQQ-UHFFFAOYSA-N
XLogP2.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104616360
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide
CID 55976047
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55977589
N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
CID 115603601
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 115589896
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
CID 104617741
N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide (CID 115589865) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide is CC(C)(C)c1cc(NC(=O)COc2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is BHTRBEKITYRUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-15(2,3)12-8-13(19-18-12)17-14(20)9-21-11-6-4-10(16)5-7-11/h4-8H,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 291.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 115589865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).