5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide

C7H11BrN4O2 — CID 162380815

IUPAC5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide
SMILESCOCCNc1n[nH]c(Br)c1C(N)=O
InChIInChI=1S/C7H11BrN4O2/c1-14-3-2-10-7-4(6(9)13)5(8)11-12-7/h2-3H2,1H3,(H2,9,13)(H2,10,11,12)
InChIKeyZYLCVEJOKMIYSR-UHFFFAOYSA-N
MW263.09 g/mol
LogP0.33
Rot. Bonds5

About 5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide

5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide (PubChem CID 162380815) has the molecular formula C7H11BrN4O2 and a molecular weight of 263.09 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide
PubChem CID162380815
Molecular FormulaC7H11BrN4O2
Molecular Weight263.09 g/mol
Exact Mass262.01
IUPAC Name5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide
SMILESCOCCNc1n[nH]c(Br)c1C(N)=O
InChIInChI=1S/C7H11BrN4O2/c1-14-3-2-10-7-4(6(9)13)5(8)11-12-7/h2-3H2,1H3,(H2,9,13)(H2,10,11,12)
InChIKeyZYLCVEJOKMIYSR-UHFFFAOYSA-N
XLogP0.33
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide (CID 162380815) is 5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide is COCCNc1n[nH]c(Br)c1C(N)=O.
What is the InChIKey of 5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is ZYLCVEJOKMIYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O2/c1-14-3-2-10-7-4(6(9)13)5(8)11-12-7/h2-3H2,1H3,(H2,9,13)(H2,10,11,12).
What are the key properties of 5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide?
5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 263.09 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 162380815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).