1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid

C9H11BrN2O2 — CID 131581564

IUPAC1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2cc(Br)cn2)CCCC1
InChIInChI=1S/C9H11BrN2O2/c10-7-5-11-12(6-7)9(8(13)14)3-1-2-4-9/h5-6H,1-4H2,(H,13,14)
InChIKeyZDYGILXCVSSQBC-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.00
Rot. Bonds2

About 1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid

1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 131581564) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid
PubChem CID131581564
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2cc(Br)cn2)CCCC1
InChIInChI=1S/C9H11BrN2O2/c10-7-5-11-12(6-7)9(8(13)14)3-1-2-4-9/h5-6H,1-4H2,(H,13,14)
InChIKeyZDYGILXCVSSQBC-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
CID 84738155
3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 155381262
1-(4-methoxypyrazol-1-yl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 167832348
[1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine
CID 84723824
1-indazol-1-ylcyclopentane-1-carboxylic acid
CID 114996720
1-(3-nitro-1,2,4-triazol-1-yl)cyclopentane-1-carboxylic acid
CID 82236516
1-(4-aminopyrazol-1-yl)cyclopropane-1-carboxamide
CID 91618907
1-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylic acid
CID 118104962
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56916565
1-(4,6-dimethoxypyrimidin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56904311
4-(4-methylpyrazol-1-yl)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 56898183
1,1-dioxo-4-pyrazol-1-ylthiane-4-carboxylic acid
CID 82235434

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid (CID 131581564) is 1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(n2cc(Br)cn2)CCCC1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ZDYGILXCVSSQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-7-5-11-12(6-7)9(8(13)14)3-1-2-4-9/h5-6H,1-4H2,(H,13,14).
What are the key properties of 1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid?
1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 259.10 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 131581564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).