3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid

C10H15N3O3 — CID 64528256

IUPAC3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
SMILESCC(C)C(C)C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C10H15N3O3/c1-5(2)6(3)9(14)11-8-4-7(10(15)16)12-13-8/h4-6H,1-3H3,(H,15,16)(H2,11,12,13,14)
InChIKeyXETKXACIPYMXNG-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.34
Rot. Bonds4

About 3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid

3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 64528256) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID64528256
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
SMILESCC(C)C(C)C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C10H15N3O3/c1-5(2)6(3)9(14)11-8-4-7(10(15)16)12-13-8/h4-6H,1-3H3,(H,15,16)(H2,11,12,13,14)
InChIKeyXETKXACIPYMXNG-UHFFFAOYSA-N
XLogP1.34
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid
CID 64527660
3-(but-2-enoylamino)-1H-pyrazole-5-carboxylic acid
CID 77043005
3-(diethylcarbamoylamino)-1H-pyrazole-5-carboxylic acid
CID 79153109
3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528831
3-(2,2-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
CID 64527644
3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid
CID 64527301
3-(but-3-enoylamino)-1H-pyrazole-5-carboxylic acid
CID 64527466
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527054
3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523909
3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 79160380
3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64529037

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid (CID 64528256) is 3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid is CC(C)C(C)C(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is XETKXACIPYMXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5(2)6(3)9(14)11-8-4-7(10(15)16)12-13-8/h4-6H,1-3H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid?
3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).