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

C9H15N3O — CID 138717171

IUPACN-(5-tert-butyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C9H15N3O/c1-6(13)11-7-5-10-12-8(7)9(2,3)4/h5H,1-4H3,(H,10,12)(H,11,13)
InChIKeyTYWFNTKIWWUSQQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.67
Rot. Bonds1

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

N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide (PubChem CID 138717171) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-4-yl)acetamide
PubChem CID138717171
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(5-tert-butyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C9H15N3O/c1-6(13)11-7-5-10-12-8(7)9(2,3)4/h5H,1-4H3,(H,10,12)(H,11,13)
InChIKeyTYWFNTKIWWUSQQ-UHFFFAOYSA-N
XLogP1.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide (CID 138717171) is N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide is CC(=O)Nc1cn[nH]c1C(C)(C)C.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is TYWFNTKIWWUSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(13)11-7-5-10-12-8(7)9(2,3)4/h5H,1-4H3,(H,10,12)(H,11,13).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide?
N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 181.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 138717171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).