(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide

C17H18BrN5O2 — CID 100830106

IUPAC(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Br)n(C)n1
InChIInChI=1S/C17H18BrN5O2/c1-11-9-15(22(3)20-11)19-16(24)12(2)25-17-14(18)10-23(21-17)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H,19,24)/t12-/m1/s1
InChIKeyIUJHXBNRNCFNKX-GFCCVEGCSA-N
MW404.27 g/mol
LogP3.08
Rot. Bonds5

About (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide

(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide (PubChem CID 100830106) has the molecular formula C17H18BrN5O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide
PubChem CID100830106
Molecular FormulaC17H18BrN5O2
Molecular Weight404.27 g/mol
Exact Mass403.06
IUPAC Name(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Br)n(C)n1
InChIInChI=1S/C17H18BrN5O2/c1-11-9-15(22(3)20-11)19-16(24)12(2)25-17-14(18)10-23(21-17)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H,19,24)/t12-/m1/s1
InChIKeyIUJHXBNRNCFNKX-GFCCVEGCSA-N
XLogP3.08
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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
(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-(2-methylpropyl)propanamide
CID 100830030
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 110210605
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 110210593
1-(4-acetylpiperazin-1-yl)-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropan-1-one
CID 102567239
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-(3-methylphenoxy)propanamide
CID 51937121
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]propanamide
CID 100830150

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide (CID 100830106) is (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Br)n(C)n1.
What is the InChIKey of (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The InChIKey is IUJHXBNRNCFNKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18BrN5O2/c1-11-9-15(22(3)20-11)19-16(24)12(2)25-17-14(18)10-23(21-17)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H,19,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide?
(2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide has a molecular weight of 404.27 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2,5-dimethylpyrazol-3-yl)propanamide is sourced from PubChem (CID 100830106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).