2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide

C11H18BrN3O2 — CID 19537734

IUPAC2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
SMILESCCOCCCNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C11H18BrN3O2/c1-3-17-6-4-5-13-11(16)9(2)15-8-10(12)7-14-15/h7-9H,3-6H2,1-2H3,(H,13,16)
InChIKeyKMXLKRZOSHRCEL-UHFFFAOYSA-N
MW304.19 g/mol
LogP1.75
Rot. Bonds7

About 2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide

2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide (PubChem CID 19537734) has the molecular formula C11H18BrN3O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
PubChem CID19537734
Molecular FormulaC11H18BrN3O2
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
SMILESCCOCCCNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C11H18BrN3O2/c1-3-17-6-4-5-13-11(16)9(2)15-8-10(12)7-14-15/h7-9H,3-6H2,1-2H3,(H,13,16)
InChIKeyKMXLKRZOSHRCEL-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
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

2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 19537684
2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 19537733
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
2-(4-Bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 45153794
2-(4-Bromopyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45153795
2-(4-Bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 56725086
2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 56780299
2-(4-Bromo-1H-pyrazol-1-yl)-1-morpholinopropan-1-one
CID 56828824
2-(4-bromo-1H-pyrazol-1-yl)-3-methylbutanamide
CID 130748543
2-(4-bromopyrazol-1-yl)-N-cyclopentylacetamide
CID 19524496
3-(4-bromo-1H-pyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 19584321

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide (CID 19537734) is 2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide is CCOCCCNC(=O)C(C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide?
The InChIKey is KMXLKRZOSHRCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2/c1-3-17-6-4-5-13-11(16)9(2)15-8-10(12)7-14-15/h7-9H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide?
2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide has a molecular weight of 304.19 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide is sourced from PubChem (CID 19537734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).