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

C13H20N2OS — CID 117233842

IUPAC1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole
SMILESc1nn(C2CCCC2)cc1OCC1CCSC1
InChIInChI=1S/C13H20N2OS/c1-2-4-12(3-1)15-8-13(7-14-15)16-9-11-5-6-17-10-11/h7-8,11-12H,1-6,9-10H2
InChIKeyINDTWHZYYUTWIO-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.13
Rot. Bonds4

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

1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole (PubChem CID 117233842) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole
PubChem CID117233842
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole
SMILESc1nn(C2CCCC2)cc1OCC1CCSC1
InChIInChI=1S/C13H20N2OS/c1-2-4-12(3-1)15-8-13(7-14-15)16-9-11-5-6-17-10-11/h7-8,11-12H,1-6,9-10H2
InChIKeyINDTWHZYYUTWIO-UHFFFAOYSA-N
XLogP3.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole
CID 117233974
1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole
CID 117233979
1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole
CID 117233866
1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole
CID 117233841
1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole
CID 117233938
1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole
CID 117233942
2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide
CID 117233939
1-cyclohexyl-4-(3-methoxypropoxy)pyrazole
CID 117233784
2-[4-(thian-4-ylmethoxy)pyrazol-1-yl]acetic acid
CID 117234207
1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole
CID 117234055
1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole
CID 117234155
4-(thian-3-ylmethoxy)-1H-pyrazole
CID 117233466

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole?
The IUPAC name of 1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole (CID 117233842) is 1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole.
What is the SMILES notation for 1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole?
The canonical SMILES for 1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole is c1nn(C2CCCC2)cc1OCC1CCSC1.
What is the InChIKey of 1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole?
The InChIKey is INDTWHZYYUTWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-4-12(3-1)15-8-13(7-14-15)16-9-11-5-6-17-10-11/h7-8,11-12H,1-6,9-10H2.
What are the key properties of 1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole?
1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole has a molecular weight of 252.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole is sourced from PubChem (CID 117233842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).