2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol

C22H25N3OS — CID 166813592

IUPAC2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-n2cc(-c3ccc(N4CCSCC4)cc3)cn2)cc1
InChIInChI=1S/C22H25N3OS/c1-22(2,26)19-5-9-21(10-6-19)25-16-18(15-23-25)17-3-7-20(8-4-17)24-11-13-27-14-12-24/h3-10,15-16,26H,11-14H2,1-2H3
InChIKeyUSGZBKSUSCRGHX-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.32
Rot. Bonds4

About 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol

2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol (PubChem CID 166813592) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol
PubChem CID166813592
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-n2cc(-c3ccc(N4CCSCC4)cc3)cn2)cc1
InChIInChI=1S/C22H25N3OS/c1-22(2,26)19-5-9-21(10-6-19)25-16-18(15-23-25)17-3-7-20(8-4-17)24-11-13-27-14-12-24/h3-10,15-16,26H,11-14H2,1-2H3
InChIKeyUSGZBKSUSCRGHX-UHFFFAOYSA-N
XLogP4.32
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol 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 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol (CID 166813592) is 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-n2cc(-c3ccc(N4CCSCC4)cc3)cn2)cc1.
What is the InChIKey of 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol?
The InChIKey is USGZBKSUSCRGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-22(2,26)19-5-9-21(10-6-19)25-16-18(15-23-25)17-3-7-20(8-4-17)24-11-13-27-14-12-24/h3-10,15-16,26H,11-14H2,1-2H3.
What are the key properties of 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol?
2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol has a molecular weight of 379.53 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]phenyl]propan-2-ol is sourced from PubChem (CID 166813592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).