1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde

C15H15BrN2O — CID 62631725

IUPAC1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2Br)nc1C1CCCC1
InChIInChI=1S/C15H15BrN2O/c16-13-7-3-4-8-14(13)18-9-12(10-19)15(17-18)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2
InChIKeyAVJVVLBYXQYAIN-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.10
Rot. Bonds3

About 1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde

1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde (PubChem CID 62631725) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde
PubChem CID62631725
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2Br)nc1C1CCCC1
InChIInChI=1S/C15H15BrN2O/c16-13-7-3-4-8-14(13)18-9-12(10-19)15(17-18)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2
InChIKeyAVJVVLBYXQYAIN-UHFFFAOYSA-N
XLogP4.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde (CID 62631725) is 1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccc2Br)nc1C1CCCC1.
What is the InChIKey of 1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde?
The InChIKey is AVJVVLBYXQYAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-13-7-3-4-8-14(13)18-9-12(10-19)15(17-18)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2.
What are the key properties of 1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde?
1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde has a molecular weight of 319.20 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-cyclopentylpyrazole-4-carbaldehyde is sourced from PubChem (CID 62631725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).