(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide

C19H18BrN3O2 — CID 100829357

IUPAC(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
SMILESC[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCc1ccccc1
InChIInChI=1S/C19H18BrN3O2/c1-14(18(24)21-12-15-8-4-2-5-9-15)25-19-17(20)13-23(22-19)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyMVYVUXHRCZEFML-CQSZACIVSA-N
MW400.28 g/mol
LogP3.72
Rot. Bonds6

About (2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide

(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide (PubChem CID 100829357) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
PubChem CID100829357
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
SMILESC[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCc1ccccc1
InChIInChI=1S/C19H18BrN3O2/c1-14(18(24)21-12-15-8-4-2-5-9-15)25-19-17(20)13-23(22-19)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyMVYVUXHRCZEFML-CQSZACIVSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100830030
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 110210605
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
(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
(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819911
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
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
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(1-ethyl-5-methylpyrazol-3-yl)propanamide
CID 100830119
(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 (2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide?
The IUPAC name of (2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide (CID 100829357) is (2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide?
The canonical SMILES for (2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide is C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide?
The InChIKey is MVYVUXHRCZEFML-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-14(18(24)21-12-15-8-4-2-5-9-15)25-19-17(20)13-23(22-19)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide?
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide has a molecular weight of 400.28 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide is sourced from PubChem (CID 100829357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).