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

C15H24N2OS — CID 117233866

IUPAC1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole
SMILESc1nn(C2CCCCC2)cc1OCC1CCSCC1
InChIInChI=1S/C15H24N2OS/c1-2-4-14(5-3-1)17-11-15(10-16-17)18-12-13-6-8-19-9-7-13/h10-11,13-14H,1-9,12H2
InChIKeyPTQGDFYDHAVIKM-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.91
Rot. Bonds4

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

1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole (PubChem CID 117233866) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole
PubChem CID117233866
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole
SMILESc1nn(C2CCCCC2)cc1OCC1CCSCC1
InChIInChI=1S/C15H24N2OS/c1-2-4-14(5-3-1)17-11-15(10-16-17)18-12-13-6-8-19-9-7-13/h10-11,13-14H,1-9,12H2
InChIKeyPTQGDFYDHAVIKM-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole?
The IUPAC name of 1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole (CID 117233866) is 1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole.
What is the SMILES notation for 1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole?
The canonical SMILES for 1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole is c1nn(C2CCCCC2)cc1OCC1CCSCC1.
What is the InChIKey of 1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole?
The InChIKey is PTQGDFYDHAVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-4-14(5-3-1)17-11-15(10-16-17)18-12-13-6-8-19-9-7-13/h10-11,13-14H,1-9,12H2.
What are the key properties of 1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole?
1-cyclohexyl-4-(thian-4-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-4-ylmethoxy)pyrazole is sourced from PubChem (CID 117233866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).