2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid

C14H21BrN2O2 — CID 81008083

IUPAC2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCCc1nn(CC)c(CC2CCCC2C(=O)O)c1Br
InChIInChI=1S/C14H21BrN2O2/c1-3-11-13(15)12(17(4-2)16-11)8-9-6-5-7-10(9)14(18)19/h9-10H,3-8H2,1-2H3,(H,18,19)
InChIKeyYBUUEJRDBKWZPV-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.27
Rot. Bonds5

About 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid

2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 81008083) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID81008083
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCCc1nn(CC)c(CC2CCCC2C(=O)O)c1Br
InChIInChI=1S/C14H21BrN2O2/c1-3-11-13(15)12(17(4-2)16-11)8-9-6-5-7-10(9)14(18)19/h9-10H,3-8H2,1-2H3,(H,18,19)
InChIKeyYBUUEJRDBKWZPV-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid (CID 81008083) is 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid is CCc1nn(CC)c(CC2CCCC2C(=O)O)c1Br.
What is the InChIKey of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YBUUEJRDBKWZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-11-13(15)12(17(4-2)16-11)8-9-6-5-7-10(9)14(18)19/h9-10H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 329.24 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81008083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).