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

C10H15BrN2O2 — CID 83904320

IUPAC2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid
SMILESCc1c(C(C(=O)O)C(C)C)nn(C)c1Br
InChIInChI=1S/C10H15BrN2O2/c1-5(2)7(10(14)15)8-6(3)9(11)13(4)12-8/h5,7H,1-4H3,(H,14,15)
InChIKeyLRBBKDWJHVKBHG-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.32
Rot. Bonds3

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

2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid (PubChem CID 83904320) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid
PubChem CID83904320
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid
SMILESCc1c(C(C(=O)O)C(C)C)nn(C)c1Br
InChIInChI=1S/C10H15BrN2O2/c1-5(2)7(10(14)15)8-6(3)9(11)13(4)12-8/h5,7H,1-4H3,(H,14,15)
InChIKeyLRBBKDWJHVKBHG-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-1-methyl-1H-pyrazol-5-yl)acetic acid
CID 83852380
2-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-2-methylpropanoic acid
CID 116818937
1-(3-bromo-1-methyl-1H-pyrazol-5-yl)-2,2-difluorocyclopropane-1-carboxylic acid
CID 165634574
2-[5-(Carboxymethyl)-1,3-dimethylpyrazol-4-yl]acetic acid
CID 69015971
2-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 70996237
2-(1,4,5-Trimethylpyrazol-3-yl)acetic acid
CID 82413375
2-(3-bromo-1-methyl-1H-pyrazol-5-yl)-2-methylpropanoic acid
CID 118690686
2-(3-bromo-1-methyl-1H-pyrazol-5-yl)butanoic acid
CID 118868613
Methyl 2-(5-bromo-1-methylpyrazol-3-yl)-3-methylbutanoate
CID 170351072
Methyl 2-(5-bromo-4-cyclopropyl-1-methylpyrazol-3-yl)acetate
CID 178084884
2-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)acetic acid
CID 65860720
2-(4-bromo-1-ethyl-3-methyl-1H-pyrazol-5-yl)acetic acid
CID 65869490

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid?
The IUPAC name of 2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid (CID 83904320) is 2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid?
The canonical SMILES for 2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid is Cc1c(C(C(=O)O)C(C)C)nn(C)c1Br.
What is the InChIKey of 2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid?
The InChIKey is LRBBKDWJHVKBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-5(2)7(10(14)15)8-6(3)9(11)13(4)12-8/h5,7H,1-4H3,(H,14,15).
What are the key properties of 2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid?
2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid has a molecular weight of 275.15 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,4-dimethylpyrazol-3-yl)-3-methylbutanoic acid is sourced from PubChem (CID 83904320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).