5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid

C10H15N3O3 — CID 110481397

IUPAC5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid
SMILESCCC(CC)C(=O)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-6(4-2)9(14)12-8-7(10(15)16)5-11-13-8/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyGHKFWVLKFGJAGL-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds5

About 5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid

5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 110481397) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID110481397
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid
SMILESCCC(CC)C(=O)Nc1[nH]ncc1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-6(4-2)9(14)12-8-7(10(15)16)5-11-13-8/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyGHKFWVLKFGJAGL-UHFFFAOYSA-N
XLogP1.48
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid (CID 110481397) is 5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid is CCC(CC)C(=O)Nc1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is GHKFWVLKFGJAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-6(4-2)9(14)12-8-7(10(15)16)5-11-13-8/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid?
5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylbutanoylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 110481397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).