3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid

C10H15N3O4 — CID 102810239

IUPAC3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCc1nn(C)cc1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-3-7-6(5-13(2)12-7)9(15)11-4-8(14)10(16)17/h5,8,14H,3-4H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyANRONGURHXCTIN-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.84
Rot. Bonds5

About 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid

3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 102810239) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID102810239
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCc1nn(C)cc1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-3-7-6(5-13(2)12-7)9(15)11-4-8(14)10(16)17/h5,8,14H,3-4H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyANRONGURHXCTIN-UHFFFAOYSA-N
XLogP-0.84
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid (CID 102810239) is 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid is CCc1nn(C)cc1C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is ANRONGURHXCTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-7-6(5-13(2)12-7)9(15)11-4-8(14)10(16)17/h5,8,14H,3-4H2,1-2H3,(H,11,15)(H,16,17).
What are the key properties of 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid?
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 102810239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).