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

C11H18N4O2 — CID 112686897

IUPAC2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)NCC(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H18N4O2/c1-7(16)12-6-10(17)13-9-5-8(14-15-9)11(2,3)4/h5H,6H2,1-4H3,(H,12,16)(H2,13,14,15,17)
InChIKeyQYVWPCTVABUGMX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.78
Rot. Bonds3

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

2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide (PubChem CID 112686897) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
PubChem CID112686897
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)NCC(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H18N4O2/c1-7(16)12-6-10(17)13-9-5-8(14-15-9)11(2,3)4/h5H,6H2,1-4H3,(H,12,16)(H2,13,14,15,17)
InChIKeyQYVWPCTVABUGMX-UHFFFAOYSA-N
XLogP0.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
CID 104617741
N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294
(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 95294416
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
CID 104618617
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide (CID 112686897) is 2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide is CC(=O)NCC(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is QYVWPCTVABUGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(16)12-6-10(17)13-9-5-8(14-15-9)11(2,3)4/h5H,6H2,1-4H3,(H,12,16)(H2,13,14,15,17).
What are the key properties of 2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 112686897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).