5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole

C13H13ClN2OS — CID 117232098

IUPAC5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole
SMILESClc1c(Oc2ccccc2)cnn1C1CCCS1
InChIInChI=1S/C13H13ClN2OS/c14-13-11(17-10-5-2-1-3-6-10)9-15-16(13)12-7-4-8-18-12/h1-3,5-6,9,12H,4,7-8H2
InChIKeyBOQPCMBSDLUCKW-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.35
Rot. Bonds3

About 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole

5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole (PubChem CID 117232098) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole
PubChem CID117232098
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole
SMILESClc1c(Oc2ccccc2)cnn1C1CCCS1
InChIInChI=1S/C13H13ClN2OS/c14-13-11(17-10-5-2-1-3-6-10)9-15-16(13)12-7-4-8-18-12/h1-3,5-6,9,12H,4,7-8H2
InChIKeyBOQPCMBSDLUCKW-UHFFFAOYSA-N
XLogP4.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 117232233
2-(5-chloro-4-phenoxypyrazol-1-yl)phenol
CID 117232967
5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 117231908
1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine
CID 117233203
5-bromo-1-(oxolan-3-yl)-4-phenoxypyrazole
CID 117231769
5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole
CID 117231772
4-phenoxy-1-(thian-3-ylmethyl)pyrazole-5-carboxylic acid
CID 117232388
1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459455
4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055523
1,2,3,4-tetrachloro-5-phenoxybenzene
CID 23274708
azane;1-chloro-2-phenoxybenzene
CID 68980819
(2-phenoxyphenyl)cycloheptane
CID 56995549

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole?
The IUPAC name of 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole (CID 117232098) is 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole.
What is the SMILES notation for 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole?
The canonical SMILES for 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole is Clc1c(Oc2ccccc2)cnn1C1CCCS1.
What is the InChIKey of 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole?
The InChIKey is BOQPCMBSDLUCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-13-11(17-10-5-2-1-3-6-10)9-15-16(13)12-7-4-8-18-12/h1-3,5-6,9,12H,4,7-8H2.
What are the key properties of 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole?
5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole has a molecular weight of 280.78 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole is sourced from PubChem (CID 117232098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).