4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole

C12H13BrN2O — CID 155213840

IUPAC4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole
SMILESCO[C@H](Cc1[nH]ncc1Br)c1ccccc1
InChIInChI=1S/C12H13BrN2O/c1-16-12(9-5-3-2-4-6-9)7-11-10(13)8-14-15-11/h2-6,8,12H,7H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyWXBYLOSWSXSFNX-GFCCVEGCSA-N
MW281.15 g/mol
LogP3.10
Rot. Bonds4

About 4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole

4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole (PubChem CID 155213840) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole
PubChem CID155213840
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole
SMILESCO[C@H](Cc1[nH]ncc1Br)c1ccccc1
InChIInChI=1S/C12H13BrN2O/c1-16-12(9-5-3-2-4-6-9)7-11-10(13)8-14-15-11/h2-6,8,12H,7H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyWXBYLOSWSXSFNX-GFCCVEGCSA-N
XLogP3.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
(2S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2-phenylethanamine
CID 95580794
[2-(4-nitro-1H-pyrazol-5-yl)-1-phenylethyl] formate
CID 174686649
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
(2R)-2-methoxy-2-phenylethanol
CID 6950345
2-(2-methoxy-2-phenylethyl)aniline
CID 10082459
1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine
CID 171335226
1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 105423941
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
N-iodo-2-methoxy-2-phenylethanamine
CID 175279844
[(1S)-2-deuteriooxy-1-methoxyethyl]benzene
CID 140824843
3-methoxy-3-phenylpropanoic acid
CID 13379217

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole?
The IUPAC name of 4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole (CID 155213840) is 4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole?
The canonical SMILES for 4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole is CO[C@H](Cc1[nH]ncc1Br)c1ccccc1.
What is the InChIKey of 4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole?
The InChIKey is WXBYLOSWSXSFNX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-16-12(9-5-3-2-4-6-9)7-11-10(13)8-14-15-11/h2-6,8,12H,7H2,1H3,(H,14,15)/t12-/m1/s1.
What are the key properties of 4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole?
4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole has a molecular weight of 281.15 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole is sourced from PubChem (CID 155213840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).