4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid

C10H13BrN2O2 — CID 82378961

IUPAC4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2nccc2Br)CC1
InChIInChI=1S/C10H13BrN2O2/c11-9-5-6-12-13(9)8-3-1-7(2-4-8)10(14)15/h5-8H,1-4H2,(H,14,15)
InChIKeyQZRNVBNLGPKQJW-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.46
Rot. Bonds2

About 4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid

4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 82378961) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid
PubChem CID82378961
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2nccc2Br)CC1
InChIInChI=1S/C10H13BrN2O2/c11-9-5-6-12-13(9)8-3-1-7(2-4-8)10(14)15/h5-8H,1-4H2,(H,14,15)
InChIKeyQZRNVBNLGPKQJW-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid
CID 99164984
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CID 84737476
4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid
CID 167965174
5-bromo-1-(1-ethylazetidin-3-yl)pyrazole
CID 105487452
4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)cyclohexane-1-carboxylic acid
CID 63303743
5-bromo-1-(2-fluorocyclohexyl)pyrazole
CID 84737475
4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
CID 175295010
2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 71145215
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
2-(2-cyclopentylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 120517826

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid (CID 82378961) is 4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(n2nccc2Br)CC1.
What is the InChIKey of 4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is QZRNVBNLGPKQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-9-5-6-12-13(9)8-3-1-7(2-4-8)10(14)15/h5-8H,1-4H2,(H,14,15).
What are the key properties of 4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid?
4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 273.13 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82378961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).