4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile

C20H22N4O — CID 78140437

IUPAC4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(C2CC(c3ccc(C4CNCCO4)cc3)NN2)cc1
InChIInChI=1S/C20H22N4O/c21-12-14-1-3-15(4-2-14)18-11-19(24-23-18)16-5-7-17(8-6-16)20-13-22-9-10-25-20/h1-8,18-20,22-24H,9-11,13H2
InChIKeyBLJKPOULUFCXLK-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.50
Rot. Bonds3

About 4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile

4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile (PubChem CID 78140437) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile
PubChem CID78140437
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(C2CC(c3ccc(C4CNCCO4)cc3)NN2)cc1
InChIInChI=1S/C20H22N4O/c21-12-14-1-3-15(4-2-14)18-11-19(24-23-18)16-5-7-17(8-6-16)20-13-22-9-10-25-20/h1-8,18-20,22-24H,9-11,13H2
InChIKeyBLJKPOULUFCXLK-UHFFFAOYSA-N
XLogP2.50
TPSA69.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile?
The IUPAC name of 4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile (CID 78140437) is 4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile.
What is the SMILES notation for 4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile?
The canonical SMILES for 4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile is N#Cc1ccc(C2CC(c3ccc(C4CNCCO4)cc3)NN2)cc1.
What is the InChIKey of 4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile?
The InChIKey is BLJKPOULUFCXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-12-14-1-3-15(4-2-14)18-11-19(24-23-18)16-5-7-17(8-6-16)20-13-22-9-10-25-20/h1-8,18-20,22-24H,9-11,13H2.
What are the key properties of 4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile?
4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile has a molecular weight of 334.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile is sourced from PubChem (CID 78140437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).