[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol

C15H27N3OS — CID 79640590

IUPAC[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(Sc2cc(C)nn2C)C1
InChIInChI=1S/C15H27N3OS/c1-4-8-16-15(11-19)7-5-6-13(10-15)20-14-9-12(2)17-18(14)3/h9,13,16,19H,4-8,10-11H2,1-3H3
InChIKeyNQYSGEMHIVULJL-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.49
Rot. Bonds6

About [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol

[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol (PubChem CID 79640590) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol
PubChem CID79640590
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(Sc2cc(C)nn2C)C1
InChIInChI=1S/C15H27N3OS/c1-4-8-16-15(11-19)7-5-6-13(10-15)20-14-9-12(2)17-18(14)3/h9,13,16,19H,4-8,10-11H2,1-3H3
InChIKeyNQYSGEMHIVULJL-UHFFFAOYSA-N
XLogP2.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol (CID 79640590) is [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(Sc2cc(C)nn2C)C1.
What is the InChIKey of [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol?
The InChIKey is NQYSGEMHIVULJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-8-16-15(11-19)7-5-6-13(10-15)20-14-9-12(2)17-18(14)3/h9,13,16,19H,4-8,10-11H2,1-3H3.
What are the key properties of [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol?
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol has a molecular weight of 297.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).