3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole

C14H15N3 — CID 155383232

IUPAC3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole
SMILESC(=C1\CCCN1)\n1ccc(-c2ccccc2)n1
InChIInChI=1S/C14H15N3/c1-2-5-12(6-3-1)14-8-10-17(16-14)11-13-7-4-9-15-13/h1-3,5-6,8,10-11,15H,4,7,9H2/b13-11+
InChIKeyRJYGXJBNJQSZME-ACCUITESSA-N
MW225.30 g/mol
LogP2.73
Rot. Bonds2

About 3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole

3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole (PubChem CID 155383232) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole.

Molecular Properties

Compound Name3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole
PubChem CID155383232
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole
SMILESC(=C1\CCCN1)\n1ccc(-c2ccccc2)n1
InChIInChI=1S/C14H15N3/c1-2-5-12(6-3-1)14-8-10-17(16-14)11-13-7-4-9-15-13/h1-3,5-6,8,10-11,15H,4,7,9H2/b13-11+
InChIKeyRJYGXJBNJQSZME-ACCUITESSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole?
The IUPAC name of 3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole (CID 155383232) is 3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole.
What is the SMILES notation for 3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole?
The canonical SMILES for 3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole is C(=C1\CCCN1)\n1ccc(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole?
The InChIKey is RJYGXJBNJQSZME-ACCUITESSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-5-12(6-3-1)14-8-10-17(16-14)11-13-7-4-9-15-13/h1-3,5-6,8,10-11,15H,4,7,9H2/b13-11+.
What are the key properties of 3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole?
3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole has a molecular weight of 225.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(E)-pyrrolidin-2-ylidenemethyl]pyrazole is sourced from PubChem (CID 155383232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).