1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol

C13H22N2OS — CID 82869370

IUPAC1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
SMILESCn1ccc(CC(O)CSC2CCCCC2)n1
InChIInChI=1S/C13H22N2OS/c1-15-8-7-11(14-15)9-12(16)10-17-13-5-3-2-4-6-13/h7-8,12-13,16H,2-6,9-10H2,1H3
InChIKeyDUMUHNOPSFHJFJ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.39
Rot. Bonds5

About 1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol

1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol (PubChem CID 82869370) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
PubChem CID82869370
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
SMILESCn1ccc(CC(O)CSC2CCCCC2)n1
InChIInChI=1S/C13H22N2OS/c1-15-8-7-11(14-15)9-12(16)10-17-13-5-3-2-4-6-13/h7-8,12-13,16H,2-6,9-10H2,1H3
InChIKeyDUMUHNOPSFHJFJ-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79752510
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103130917
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869244
1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
CID 65138544
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol
CID 65479114
[1-cyclohexyl-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105201792
1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 65139689
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
1-(4-chlorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 65138542

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol (CID 82869370) is 1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol is Cn1ccc(CC(O)CSC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol?
The InChIKey is DUMUHNOPSFHJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-15-8-7-11(14-15)9-12(16)10-17-13-5-3-2-4-6-13/h7-8,12-13,16H,2-6,9-10H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol?
1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol has a molecular weight of 254.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 82869370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).