2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid

C10H15N3O3 — CID 60780045

IUPAC2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCC(C)(C)NC(=O)Cn1nccc1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-10(2,3)12-8(14)6-13-7(9(15)16)4-5-11-13/h4-5H,6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyLBFFVIYFIKIUGG-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.50
Rot. Bonds3

About 2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 60780045) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID60780045
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCC(C)(C)NC(=O)Cn1nccc1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-10(2,3)12-8(14)6-13-7(9(15)16)4-5-11-13/h4-5H,6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyLBFFVIYFIKIUGG-UHFFFAOYSA-N
XLogP0.50
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485568
2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid
CID 175703524
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485630
2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
CID 19485535
2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485678
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-[2-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485687
2-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19485587
2-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 19619900

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid (CID 60780045) is 2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid is CC(C)(C)NC(=O)Cn1nccc1C(=O)O.
What is the InChIKey of 2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is LBFFVIYFIKIUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)12-8(14)6-13-7(9(15)16)4-5-11-13/h4-5H,6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 60780045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).