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

C10H15BrN2O2 — CID 62129898

IUPAC5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid
SMILESCc1nn(CCCCC(=O)O)c(C)c1Br
InChIInChI=1S/C10H15BrN2O2/c1-7-10(11)8(2)13(12-7)6-4-3-5-9(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyJQWSYMPIRQOVJI-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.52
Rot. Bonds5

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

5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid (PubChem CID 62129898) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid
PubChem CID62129898
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid
SMILESCc1nn(CCCCC(=O)O)c(C)c1Br
InChIInChI=1S/C10H15BrN2O2/c1-7-10(11)8(2)13(12-7)6-4-3-5-9(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyJQWSYMPIRQOVJI-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate
CID 4753296
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19561544
4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)butanoic acid
CID 25220761
3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 90486278
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)butan-1-one
CID 5305220
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-butylpropanamide
CID 19561601
5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid
CID 106806652
4-bromo-1-(3-ethylsulfanylpropyl)-3,5-dimethylpyrazole
CID 115651017
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine
CID 19616349
methyl 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoate
CID 62130453
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one
CID 15943592

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid?
The IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid (CID 62129898) is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid is Cc1nn(CCCCC(=O)O)c(C)c1Br.
What is the InChIKey of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid?
The InChIKey is JQWSYMPIRQOVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7-10(11)8(2)13(12-7)6-4-3-5-9(14)15/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid?
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid has a molecular weight of 275.15 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 62129898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).