[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone

C19H22FN3O2S — CID 134067059

IUPAC[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone
SMILESCc1ccc(C2CC(C(=O)N3CC(OCc4ccc(F)cc4)C3)NN2)s1
InChIInChI=1S/C19H22FN3O2S/c1-12-2-7-18(26-12)16-8-17(22-21-16)19(24)23-9-15(10-23)25-11-13-3-5-14(20)6-4-13/h2-7,15-17,21-22H,8-11H2,1H3
InChIKeyCAYOALJBUVRUCE-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.53
Rot. Bonds5

About [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone

[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone (PubChem CID 134067059) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone
PubChem CID134067059
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone
SMILESCc1ccc(C2CC(C(=O)N3CC(OCc4ccc(F)cc4)C3)NN2)s1
InChIInChI=1S/C19H22FN3O2S/c1-12-2-7-18(26-12)16-8-17(22-21-16)19(24)23-9-15(10-23)25-11-13-3-5-14(20)6-4-13/h2-7,15-17,21-22H,8-11H2,1H3
InChIKeyCAYOALJBUVRUCE-UHFFFAOYSA-N
XLogP2.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone?
The IUPAC name of [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone (CID 134067059) is [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone?
The canonical SMILES for [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone is Cc1ccc(C2CC(C(=O)N3CC(OCc4ccc(F)cc4)C3)NN2)s1.
What is the InChIKey of [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone?
The InChIKey is CAYOALJBUVRUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-12-2-7-18(26-12)16-8-17(22-21-16)19(24)23-9-15(10-23)25-11-13-3-5-14(20)6-4-13/h2-7,15-17,21-22H,8-11H2,1H3.
What are the key properties of [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone?
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 134067059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).