5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid

C10H13BrN2O2 — CID 82372825

IUPAC5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c(Br)c1C1CCCCC1
InChIInChI=1S/C10H13BrN2O2/c11-9-7(6-4-2-1-3-5-6)8(10(14)15)12-13-9/h6H,1-5H2,(H,12,13)(H,14,15)
InChIKeyLKZXNKROMQIJHD-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.92
Rot. Bonds2

About 5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid

5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid (PubChem CID 82372825) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid
PubChem CID82372825
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c(Br)c1C1CCCCC1
InChIInChI=1S/C10H13BrN2O2/c11-9-7(6-4-2-1-3-5-6)8(10(14)15)12-13-9/h6H,1-5H2,(H,12,13)(H,14,15)
InChIKeyLKZXNKROMQIJHD-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid
CID 648852
5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 655114
1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
CID 655343
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 3240332
4-bromo-5-butyl-1H-pyrazole-3-carboxylic acid
CID 44433526
5-Ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 3159641
5-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 25163409
5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 25161450
5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 25161462
4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazole-3-carboxylic acid
CID 4426846
4-bromo-3-cyclopropyl-1H-pyrazole-5-carboxylic acid
CID 45792525
5-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 57561759

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid (CID 82372825) is 5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid is O=C(O)c1n[nH]c(Br)c1C1CCCCC1.
What is the InChIKey of 5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is LKZXNKROMQIJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-9-7(6-4-2-1-3-5-6)8(10(14)15)12-13-9/h6H,1-5H2,(H,12,13)(H,14,15).
What are the key properties of 5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid?
5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 273.13 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 82372825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).