1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole

C14H22N2OS — CID 117233974

IUPAC1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole
SMILESc1nn(C2CCCC2)cc1OCC1CCCSC1
InChIInChI=1S/C14H22N2OS/c1-2-6-13(5-1)16-9-14(8-15-16)17-10-12-4-3-7-18-11-12/h8-9,12-13H,1-7,10-11H2
InChIKeyWIQDVLOFGAZZAG-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.52
Rot. Bonds4

About 1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole

1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole (PubChem CID 117233974) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole
PubChem CID117233974
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole
SMILESc1nn(C2CCCC2)cc1OCC1CCCSC1
InChIInChI=1S/C14H22N2OS/c1-2-6-13(5-1)16-9-14(8-15-16)17-10-12-4-3-7-18-11-12/h8-9,12-13H,1-7,10-11H2
InChIKeyWIQDVLOFGAZZAG-UHFFFAOYSA-N
XLogP3.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-4-(thian-3-ylmethoxy)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

1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole
CID 117233979
1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole
CID 117233842
1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole
CID 117233866
1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole
CID 117233938
1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole
CID 117233841
1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole
CID 117233942
4-(thian-3-ylmethoxy)-1H-pyrazole
CID 117233466
2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide
CID 117233939
1-cyclohexyl-4-(3-methoxypropoxy)pyrazole
CID 117233784
[1-(thian-3-yl)pyrazol-4-yl]methanamine
CID 105451016
1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole
CID 117234055
2-[1-(thian-3-yl)pyrazol-4-yl]ethanol
CID 105466272

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole?
The IUPAC name of 1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole (CID 117233974) is 1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole.
What is the SMILES notation for 1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole?
The canonical SMILES for 1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole is c1nn(C2CCCC2)cc1OCC1CCCSC1.
What is the InChIKey of 1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole?
The InChIKey is WIQDVLOFGAZZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-6-13(5-1)16-9-14(8-15-16)17-10-12-4-3-7-18-11-12/h8-9,12-13H,1-7,10-11H2.
What are the key properties of 1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole?
1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole has a molecular weight of 266.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole is sourced from PubChem (CID 117233974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).