2-(3-tert-butylpyrazol-1-yl)acetamide

C9H15N3O — CID 58574026

IUPAC2-(3-tert-butylpyrazol-1-yl)acetamide
SMILESCC(C)(C)c1ccn(CC(N)=O)n1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-5-12(11-7)6-8(10)13/h4-5H,6H2,1-3H3,(H2,10,13)
InChIKeyXKAJTEKGAVDRKG-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.67
Rot. Bonds2

About 2-(3-tert-butylpyrazol-1-yl)acetamide

2-(3-tert-butylpyrazol-1-yl)acetamide (PubChem CID 58574026) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butylpyrazol-1-yl)acetamide
PubChem CID58574026
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(3-tert-butylpyrazol-1-yl)acetamide
SMILESCC(C)(C)c1ccn(CC(N)=O)n1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-5-12(11-7)6-8(10)13/h4-5H,6H2,1-3H3,(H2,10,13)
InChIKeyXKAJTEKGAVDRKG-UHFFFAOYSA-N
XLogP0.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-yl)acetamide?
The IUPAC name of 2-(3-tert-butylpyrazol-1-yl)acetamide (CID 58574026) is 2-(3-tert-butylpyrazol-1-yl)acetamide.
What is the SMILES notation for 2-(3-tert-butylpyrazol-1-yl)acetamide?
The canonical SMILES for 2-(3-tert-butylpyrazol-1-yl)acetamide is CC(C)(C)c1ccn(CC(N)=O)n1.
What is the InChIKey of 2-(3-tert-butylpyrazol-1-yl)acetamide?
The InChIKey is XKAJTEKGAVDRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)7-4-5-12(11-7)6-8(10)13/h4-5H,6H2,1-3H3,(H2,10,13).
What are the key properties of 2-(3-tert-butylpyrazol-1-yl)acetamide?
2-(3-tert-butylpyrazol-1-yl)acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrazol-1-yl)acetamide is sourced from PubChem (CID 58574026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).