1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid

C13H13BrN2O2 — CID 117493866

IUPAC1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3n[nH]c(Br)c3c2)CCCC1
InChIInChI=1S/C13H13BrN2O2/c14-11-9-7-8(3-4-10(9)15-16-11)13(12(17)18)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,15,16)(H,17,18)
InChIKeyNBOLQMXXPLIBBJ-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.22
Rot. Bonds2

About 1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid

1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 117493866) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID117493866
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3n[nH]c(Br)c3c2)CCCC1
InChIInChI=1S/C13H13BrN2O2/c14-11-9-7-8(3-4-10(9)15-16-11)13(12(17)18)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,15,16)(H,17,18)
InChIKeyNBOLQMXXPLIBBJ-UHFFFAOYSA-N
XLogP3.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-amino-2H-indazol-3-yl)cyclopentane-1-carboxylic acid
CID 82622616
1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid
CID 82623856
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-(3-bromo-1-methylindazol-6-yl)cyclobutane-1-carboxylic acid
CID 117493871
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117445308
1-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117463774
1-(3-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117396793
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid
CID 82618762
1-(1,2,3-benzothiadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 117373674
1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid
CID 117433820

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid (CID 117493866) is 1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc3n[nH]c(Br)c3c2)CCCC1.
What is the InChIKey of 1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is NBOLQMXXPLIBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-11-9-7-8(3-4-10(9)15-16-11)13(12(17)18)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid?
1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 309.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117493866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).