2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide

C15H16BrN3O2 — CID 110210605

IUPAC2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1nn(-c2ccccc2)cc1Br
InChIInChI=1S/C15H16BrN3O2/c1-3-9-17-14(20)11(2)21-15-13(16)10-19(18-15)12-7-5-4-6-8-12/h3-8,10-11H,1,9H2,2H3,(H,17,20)
InChIKeyIENBEJYIRXNHEJ-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.70
Rot. Bonds6

About 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide

2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide (PubChem CID 110210605) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
PubChem CID110210605
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1nn(-c2ccccc2)cc1Br
InChIInChI=1S/C15H16BrN3O2/c1-3-9-17-14(20)11(2)21-15-13(16)10-19(18-15)12-7-5-4-6-8-12/h3-8,10-11H,1,9H2,2H3,(H,17,20)
InChIKeyIENBEJYIRXNHEJ-UHFFFAOYSA-N
XLogP2.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100819734
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100830030
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828980
(2R)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828979
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]propanamide
CID 100830150
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide
CID 100830093
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 110210634
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(4-fluorophenyl)propyl]propanamide
CID 100830153
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)propanamide
CID 110210628
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 100830106
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(1-ethyl-5-methylpyrazol-3-yl)propanamide
CID 100830118

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide (CID 110210605) is 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1nn(-c2ccccc2)cc1Br.
What is the InChIKey of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
The InChIKey is IENBEJYIRXNHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-3-9-17-14(20)11(2)21-15-13(16)10-19(18-15)12-7-5-4-6-8-12/h3-8,10-11H,1,9H2,2H3,(H,17,20).
What are the key properties of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide?
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide has a molecular weight of 350.22 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide is sourced from PubChem (CID 110210605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).