2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone

C9H15N3O — CID 84732384

IUPAC2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone
SMILESCC(C)(C)n1cc(C(=O)CN)cn1
InChIInChI=1S/C9H15N3O/c1-9(2,3)12-6-7(5-11-12)8(13)4-10/h5-6H,4,10H2,1-3H3
InChIKeyDLHLEQVLCZJBFV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.78
Rot. Bonds2

About 2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone

2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone (PubChem CID 84732384) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone
PubChem CID84732384
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone
SMILESCC(C)(C)n1cc(C(=O)CN)cn1
InChIInChI=1S/C9H15N3O/c1-9(2,3)12-6-7(5-11-12)8(13)4-10/h5-6H,4,10H2,1-3H3
InChIKeyDLHLEQVLCZJBFV-UHFFFAOYSA-N
XLogP0.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone (CID 84732384) is 2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone is CC(C)(C)n1cc(C(=O)CN)cn1.
What is the InChIKey of 2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone?
The InChIKey is DLHLEQVLCZJBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)12-6-7(5-11-12)8(13)4-10/h5-6H,4,10H2,1-3H3.
What are the key properties of 2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone?
2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone has a molecular weight of 181.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone is sourced from PubChem (CID 84732384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).