3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde

C17H20N2O — CID 62631545

IUPAC3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde
SMILESCc1cc(C)cc(-n2cc(C=O)c(C3CCCC3)n2)c1
InChIInChI=1S/C17H20N2O/c1-12-7-13(2)9-16(8-12)19-10-15(11-20)17(18-19)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3
InChIKeyRWPAPWPJSDRDGC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.96
Rot. Bonds3

About 3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde

3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde (PubChem CID 62631545) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde
PubChem CID62631545
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde
SMILESCc1cc(C)cc(-n2cc(C=O)c(C3CCCC3)n2)c1
InChIInChI=1S/C17H20N2O/c1-12-7-13(2)9-16(8-12)19-10-15(11-20)17(18-19)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3
InChIKeyRWPAPWPJSDRDGC-UHFFFAOYSA-N
XLogP3.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.96
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 3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde (CID 62631545) is 3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde is Cc1cc(C)cc(-n2cc(C=O)c(C3CCCC3)n2)c1.
What is the InChIKey of 3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde?
The InChIKey is RWPAPWPJSDRDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-7-13(2)9-16(8-12)19-10-15(11-20)17(18-19)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde?
3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde has a molecular weight of 268.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 62631545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).