2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid

C7H9BrN4O3 — CID 50989009

IUPAC2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid
SMILESCn1nc(Br)c(C(=O)NCC(=O)O)c1N
InChIInChI=1S/C7H9BrN4O3/c1-12-6(9)4(5(8)11-12)7(15)10-2-3(13)14/h2,9H2,1H3,(H,10,15)(H,13,14)
InChIKeyUWKQHRBXXNTKHL-UHFFFAOYSA-N
MW277.08 g/mol
LogP-0.42
Rot. Bonds3

About 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid

2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 50989009) has the molecular formula C7H9BrN4O3 and a molecular weight of 277.08 g/mol. Its IUPAC name is 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID50989009
Molecular FormulaC7H9BrN4O3
Molecular Weight277.08 g/mol
Exact Mass275.99
IUPAC Name2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid
SMILESCn1nc(Br)c(C(=O)NCC(=O)O)c1N
InChIInChI=1S/C7H9BrN4O3/c1-12-6(9)4(5(8)11-12)7(15)10-2-3(13)14/h2,9H2,1H3,(H,10,15)(H,13,14)
InChIKeyUWKQHRBXXNTKHL-UHFFFAOYSA-N
XLogP-0.42
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid (CID 50989009) is 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid is Cn1nc(Br)c(C(=O)NCC(=O)O)c1N.
What is the InChIKey of 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is UWKQHRBXXNTKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O3/c1-12-6(9)4(5(8)11-12)7(15)10-2-3(13)14/h2,9H2,1H3,(H,10,15)(H,13,14).
What are the key properties of 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid?
2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 277.08 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 50989009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).