3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal

C15H16N2O — CID 117353589

IUPAC3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal
SMILESO=CCCc1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C15H16N2O/c18-11-1-2-12-3-7-14(8-4-12)17-15(9-10-16-17)13-5-6-13/h3-4,7-11,13H,1-2,5-6H2
InChIKeyPGOBSNALCQMEOJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.88
Rot. Bonds5

About 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal

3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal (PubChem CID 117353589) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal.

Molecular Properties

Compound Name3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal
PubChem CID117353589
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal
SMILESO=CCCc1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C15H16N2O/c18-11-1-2-12-3-7-14(8-4-12)17-15(9-10-16-17)13-5-6-13/h3-4,7-11,13H,1-2,5-6H2
InChIKeyPGOBSNALCQMEOJ-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.88
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-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal?
The IUPAC name of 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal (CID 117353589) is 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal.
What is the SMILES notation for 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal?
The canonical SMILES for 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal is O=CCCc1ccc(-n2nccc2C2CC2)cc1.
What is the InChIKey of 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal?
The InChIKey is PGOBSNALCQMEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-11-1-2-12-3-7-14(8-4-12)17-15(9-10-16-17)13-5-6-13/h3-4,7-11,13H,1-2,5-6H2.
What are the key properties of 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal?
3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal has a molecular weight of 240.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal is sourced from PubChem (CID 117353589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).