5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole

C15H19N3O — CID 3070793

IUPAC5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
SMILESc1ccc(-c2cc(OCCN3CCCC3)n[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-2-6-13(7-3-1)14-12-15(17-16-14)19-11-10-18-8-4-5-9-18/h1-3,6-7,12H,4-5,8-11H2,(H,16,17)
InChIKeyWIPYWAIIAVFVIZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds5

About 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole

5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole (PubChem CID 3070793) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
PubChem CID3070793
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
SMILESc1ccc(-c2cc(OCCN3CCCC3)n[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-2-6-13(7-3-1)14-12-15(17-16-14)19-11-10-18-8-4-5-9-18/h1-3,6-7,12H,4-5,8-11H2,(H,16,17)
InChIKeyWIPYWAIIAVFVIZ-UHFFFAOYSA-N
XLogP2.55
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole?
The IUPAC name of 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole (CID 3070793) is 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole.
What is the SMILES notation for 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole?
The canonical SMILES for 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole is c1ccc(-c2cc(OCCN3CCCC3)n[nH]2)cc1.
What is the InChIKey of 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole?
The InChIKey is WIPYWAIIAVFVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-6-13(7-3-1)14-12-15(17-16-14)19-11-10-18-8-4-5-9-18/h1-3,6-7,12H,4-5,8-11H2,(H,16,17).
What are the key properties of 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole?
5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole has a molecular weight of 257.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole is sourced from PubChem (CID 3070793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).