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

C9H13BrN2O2 — CID 83902009

IUPAC4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid
SMILESCc1c(CCCC(=O)O)nn(C)c1Br
InChIInChI=1S/C9H13BrN2O2/c1-6-7(4-3-5-8(13)14)11-12(2)9(6)10/h3-5H2,1-2H3,(H,13,14)
InChIKeyRRLHDCXENBAZBB-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.90
Rot. Bonds4

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

4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid (PubChem CID 83902009) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid
PubChem CID83902009
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid
SMILESCc1c(CCCC(=O)O)nn(C)c1Br
InChIInChI=1S/C9H13BrN2O2/c1-6-7(4-3-5-8(13)14)11-12(2)9(6)10/h3-5H2,1-2H3,(H,13,14)
InChIKeyRRLHDCXENBAZBB-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 3157816
3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 1084875
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005992
2-(4-bromo-3-ethyl-1-methyl-1H-pyrazol-5-yl)acetic acid
CID 65878185
2-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-2-methylpropanoic acid
CID 116818937
3-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 50987850
2-Fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid
CID 81358709
3-[1,5-Dimethyl-3-(trifluoromethyl)pyrazol-4-yl]propanoic acid
CID 116817549
2-Fluoro-3-(1,3,5-trimethylpyrazol-4-yl)butanoic acid
CID 130840915
2,2-difluoro-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 165734488
3,3-difluoro-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 165965271
3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 7131174

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid?
The IUPAC name of 4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid (CID 83902009) is 4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid?
The canonical SMILES for 4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid is Cc1c(CCCC(=O)O)nn(C)c1Br.
What is the InChIKey of 4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid?
The InChIKey is RRLHDCXENBAZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-6-7(4-3-5-8(13)14)11-12(2)9(6)10/h3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid?
4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid has a molecular weight of 261.12 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,4-dimethylpyrazol-3-yl)butanoic acid is sourced from PubChem (CID 83902009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).