3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde

C13H12N2O — CID 83885760

IUPAC3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1C1CC1
InChIInChI=1S/C13H12N2O/c16-9-11-8-15(12-4-2-1-3-5-12)14-13(11)10-6-7-10/h1-5,8-10H,6-7H2
InChIKeyZYSYAPKJAGYBRC-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.56
Rot. Bonds3

About 3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde

3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde (PubChem CID 83885760) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde
PubChem CID83885760
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1C1CC1
InChIInChI=1S/C13H12N2O/c16-9-11-8-15(12-4-2-1-3-5-12)14-13(11)10-6-7-10/h1-5,8-10H,6-7H2
InChIKeyZYSYAPKJAGYBRC-UHFFFAOYSA-N
XLogP2.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.56
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-cyclopropyl-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde (CID 83885760) is 3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccc2)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is ZYSYAPKJAGYBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-9-11-8-15(12-4-2-1-3-5-12)14-13(11)10-6-7-10/h1-5,8-10H,6-7H2.
What are the key properties of 3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde?
3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 83885760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).