(4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone

C8H10ClN3OS — CID 19577724

IUPAC(4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1[nH]ncc1Cl)N1CCSCC1
InChIInChI=1S/C8H10ClN3OS/c9-6-5-10-11-7(6)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11)
InChIKeyQTJYLIBRZCZYSM-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.25
Rot. Bonds1

About (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone

(4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone (PubChem CID 19577724) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone
PubChem CID19577724
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name(4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1[nH]ncc1Cl)N1CCSCC1
InChIInChI=1S/C8H10ClN3OS/c9-6-5-10-11-7(6)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11)
InChIKeyQTJYLIBRZCZYSM-UHFFFAOYSA-N
XLogP1.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone 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 (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone (CID 19577724) is (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone is O=C(c1[nH]ncc1Cl)N1CCSCC1.
What is the InChIKey of (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is QTJYLIBRZCZYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-6-5-10-11-7(6)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11).
What are the key properties of (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone?
(4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 231.71 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrazol-5-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 19577724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).