(2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid

C8H11BrN2O2 — CID 7017609

IUPAC(2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
SMILESCc1nn([C@H](C)C(=O)O)c(C)c1Br
InChIInChI=1S/C8H11BrN2O2/c1-4-7(9)5(2)11(10-4)6(3)8(12)13/h6H,1-3H3,(H,12,13)/t6-/m1/s1
InChIKeyPQWOGJIMXLPNMR-ZCFIWIBFSA-N
MW247.09 g/mol
LogP1.91
Rot. Bonds2

About (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid

(2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid (PubChem CID 7017609) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
PubChem CID7017609
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name(2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
SMILESCc1nn([C@H](C)C(=O)O)c(C)c1Br
InChIInChI=1S/C8H11BrN2O2/c1-4-7(9)5(2)11(10-4)6(3)8(12)13/h6H,1-3H3,(H,12,13)/t6-/m1/s1
InChIKeyPQWOGJIMXLPNMR-ZCFIWIBFSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 17024617
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 62129589
(2S)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanedioic acid
CID 744346
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-one
CID 62128596
1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole
CID 15039839
N-(4-aminophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130906
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide
CID 63579772
2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 162567408
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide
CID 19538290
ethyl 2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoate
CID 64662464
2-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 62129229
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55038757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid (CID 7017609) is (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid is Cc1nn([C@H](C)C(=O)O)c(C)c1Br.
What is the InChIKey of (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid?
The InChIKey is PQWOGJIMXLPNMR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-4-7(9)5(2)11(10-4)6(3)8(12)13/h6H,1-3H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid?
(2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid has a molecular weight of 247.09 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 7017609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).