(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide

C18H15BrFN3O2 — CID 100830093

IUPAC(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide
SMILESC[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15BrFN3O2/c1-12(17(24)21-14-9-7-13(20)8-10-14)25-18-16(19)11-23(22-18)15-5-3-2-4-6-15/h2-12H,1H3,(H,21,24)/t12-/m1/s1
InChIKeyAMSBDNWZTMVWDT-GFCCVEGCSA-N
MW404.24 g/mol
LogP4.18
Rot. Bonds5

About (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide

(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide (PubChem CID 100830093) has the molecular formula C18H15BrFN3O2 and a molecular weight of 404.24 g/mol. Its IUPAC name is (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide
PubChem CID100830093
Molecular FormulaC18H15BrFN3O2
Molecular Weight404.24 g/mol
Exact Mass403.03
IUPAC Name(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide
SMILESC[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15BrFN3O2/c1-12(17(24)21-14-9-7-13(20)8-10-14)25-18-16(19)11-23(22-18)15-5-3-2-4-6-15/h2-12H,1H3,(H,21,24)/t12-/m1/s1
InChIKeyAMSBDNWZTMVWDT-GFCCVEGCSA-N
XLogP4.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(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
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(1-ethyl-5-methylpyrazol-3-yl)propanamide
CID 100830119
(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-(1-ethyl-5-methylpyrazol-3-yl)propanamide
CID 100830118
1-(4-acetylpiperazin-1-yl)-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropan-1-one
CID 102567239
3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819794
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 110210634
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-pyridin-3-ylpropanamide
CID 102567180

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide (CID 100830093) is (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide is C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide?
The InChIKey is AMSBDNWZTMVWDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15BrFN3O2/c1-12(17(24)21-14-9-7-13(20)8-10-14)25-18-16(19)11-23(22-18)15-5-3-2-4-6-15/h2-12H,1H3,(H,21,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide?
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide has a molecular weight of 404.24 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 100830093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).