4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide

C11H18BrN3O2 — CID 19267516

IUPAC4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
SMILESCCOCCCNC(=O)c1nn(CC)cc1Br
InChIInChI=1S/C11H18BrN3O2/c1-3-15-8-9(12)10(14-15)11(16)13-6-5-7-17-4-2/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyOFRRLMVDVIENPR-UHFFFAOYSA-N
MW304.19 g/mol
LogP1.82
Rot. Bonds7

About 4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide

4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 19267516) has the molecular formula C11H18BrN3O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
PubChem CID19267516
Molecular FormulaC11H18BrN3O2
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
SMILESCCOCCCNC(=O)c1nn(CC)cc1Br
InChIInChI=1S/C11H18BrN3O2/c1-3-15-8-9(12)10(14-15)11(16)13-6-5-7-17-4-2/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyOFRRLMVDVIENPR-UHFFFAOYSA-N
XLogP1.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
1-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 903069
4-bromo-N-cycloheptyl-1-methylpyrazole-3-carboxamide
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4-bromo-N-cyclooctyl-1-ethyl-1H-pyrazole-5-carboxamide
CID 831883
4-bromo-N-cyclooctyl-1-methyl-1H-pyrazole-5-carboxamide
CID 844722
4-bromo-N-cycloheptyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903183
4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
(4-Bromo-2-methylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 1219595
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 4768427
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401
4-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 1219641
(4-Bromo-2-methylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 4391269

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide (CID 19267516) is 4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide is CCOCCCNC(=O)c1nn(CC)cc1Br.
What is the InChIKey of 4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is OFRRLMVDVIENPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2/c1-3-15-8-9(12)10(14-15)11(16)13-6-5-7-17-4-2/h8H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide?
4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 304.19 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19267516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).