4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide

C7H9Br2N3O2 — CID 19508610

IUPAC4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1n[nH]c(Br)c1Br
InChIInChI=1S/C7H9Br2N3O2/c1-14-3-2-10-7(13)5-4(8)6(9)12-11-5/h2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyIXVIPJNOJMPHGC-UHFFFAOYSA-N
MW326.98 g/mol
LogP1.31
Rot. Bonds4

About 4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide

4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508610) has the molecular formula C7H9Br2N3O2 and a molecular weight of 326.98 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508610
Molecular FormulaC7H9Br2N3O2
Molecular Weight326.98 g/mol
Exact Mass324.91
IUPAC Name4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1n[nH]c(Br)c1Br
InChIInChI=1S/C7H9Br2N3O2/c1-14-3-2-10-7(13)5-4(8)6(9)12-11-5/h2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyIXVIPJNOJMPHGC-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.98
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-methoxyethyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803423
4,5-dibromo-N-hexyl-1H-pyrazole-3-carboxamide
CID 19508407
4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 19508462
N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110849199
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
methyl 7-[(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)amino]heptanoate
CID 47061209
4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 19508390
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034477
4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 19508558
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55033876
N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119497916

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide (CID 19508610) is 4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide is COCCNC(=O)c1n[nH]c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is IXVIPJNOJMPHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2N3O2/c1-14-3-2-10-7(13)5-4(8)6(9)12-11-5/h2-3H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide?
4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 326.98 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).