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

C15H24N2OS — CID 117233979

IUPAC1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole
SMILESc1nn(C2CCCCC2)cc1OCC1CCCSC1
InChIInChI=1S/C15H24N2OS/c1-2-6-14(7-3-1)17-10-15(9-16-17)18-11-13-5-4-8-19-12-13/h9-10,13-14H,1-8,11-12H2
InChIKeyBEGUNYGPQYWQJW-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.91
Rot. Bonds4

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

1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole (PubChem CID 117233979) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole
PubChem CID117233979
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole
SMILESc1nn(C2CCCCC2)cc1OCC1CCCSC1
InChIInChI=1S/C15H24N2OS/c1-2-6-14(7-3-1)17-10-15(9-16-17)18-11-13-5-4-8-19-12-13/h9-10,13-14H,1-8,11-12H2
InChIKeyBEGUNYGPQYWQJW-UHFFFAOYSA-N
XLogP3.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole
CID 117233974
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
1-cyclohexyl-4-(3-methoxypropoxy)pyrazole
CID 117233784
2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide
CID 117233939
[1-(thian-3-yl)pyrazol-4-yl]methanamine
CID 105451016
1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole
CID 117234155
1-cyclohexyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234039

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole?
The IUPAC name of 1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole (CID 117233979) is 1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole.
What is the SMILES notation for 1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole?
The canonical SMILES for 1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole is c1nn(C2CCCCC2)cc1OCC1CCCSC1.
What is the InChIKey of 1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole?
The InChIKey is BEGUNYGPQYWQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-6-14(7-3-1)17-10-15(9-16-17)18-11-13-5-4-8-19-12-13/h9-10,13-14H,1-8,11-12H2.
What are the key properties of 1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole?
1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole has a molecular weight of 280.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole is sourced from PubChem (CID 117233979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).