1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid

C12H19N3O4 — CID 166386399

IUPAC1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid
SMILESCC(C)CC(O)C(=O)NCCn1ccc(C(=O)O)n1
InChIInChI=1S/C12H19N3O4/c1-8(2)7-10(16)11(17)13-4-6-15-5-3-9(14-15)12(18)19/h3,5,8,10,16H,4,6-7H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyPQLFXIYRGLXZPX-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.10
Rot. Bonds7

About 1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid

1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid (PubChem CID 166386399) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid
PubChem CID166386399
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid
SMILESCC(C)CC(O)C(=O)NCCn1ccc(C(=O)O)n1
InChIInChI=1S/C12H19N3O4/c1-8(2)7-10(16)11(17)13-4-6-15-5-3-9(14-15)12(18)19/h3,5,8,10,16H,4,6-7H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyPQLFXIYRGLXZPX-UHFFFAOYSA-N
XLogP0.10
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid (CID 166386399) is 1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid is CC(C)CC(O)C(=O)NCCn1ccc(C(=O)O)n1.
What is the InChIKey of 1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid?
The InChIKey is PQLFXIYRGLXZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(2)7-10(16)11(17)13-4-6-15-5-3-9(14-15)12(18)19/h3,5,8,10,16H,4,6-7H2,1-2H3,(H,13,17)(H,18,19).
What are the key properties of 1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid?
1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxy-4-methylpentanoyl)amino]ethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 166386399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).