3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid

C10H15BrN2O2 — CID 83845216

IUPAC3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid
SMILESCC(Cc1c(Br)cnn1C(C)C)C(=O)O
InChIInChI=1S/C10H15BrN2O2/c1-6(2)13-9(8(11)5-12-13)4-7(3)10(14)15/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyULJFSMBVTDJZKD-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.49
Rot. Bonds4

About 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid

3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid (PubChem CID 83845216) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid
PubChem CID83845216
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid
SMILESCC(Cc1c(Br)cnn1C(C)C)C(=O)O
InChIInChI=1S/C10H15BrN2O2/c1-6(2)13-9(8(11)5-12-13)4-7(3)10(14)15/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyULJFSMBVTDJZKD-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid
CID 19576771
3-(4-Bromo-1-methyl-1H-pyrazol-5-YL)propanoic acid
CID 19622634
2-(4-bromo-1-(propan-2-yl)-1H-pyrazol-5-yl)acetic acid
CID 60136564
(2S)-4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 124510723
3-(1,4-dimethyl-1H-pyrazol-3-yl)-2,2-dimethylpropanoic acid
CID 165606116
4,4,4-trifluoro-3-(1-methyl-1H-pyrazol-5-yl)butanoic acid
CID 83389181
2-Methyl-3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]propanoic acid
CID 83896950
3-[2-(2,2,2-Trifluoroethyl)pyrazol-3-yl]butanoic acid
CID 83896951
3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid
CID 84680330
3-[2-(2,2-Difluoroethyl)pyrazol-3-yl]-2-methylpropanoic acid
CID 84683427
3-[2-(2,2-Difluoropropyl)pyrazol-3-yl]-2-methylpropanoic acid
CID 84695393
2-(4-Bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroacetic acid
CID 115049276

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid (CID 83845216) is 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid is CC(Cc1c(Br)cnn1C(C)C)C(=O)O.
What is the InChIKey of 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid?
The InChIKey is ULJFSMBVTDJZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-6(2)13-9(8(11)5-12-13)4-7(3)10(14)15/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid?
3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid has a molecular weight of 275.15 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83845216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).