1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol

C15H20N2OS — CID 66066757

IUPAC1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCCn1cc(CC(O)CSc2ccc(C)cc2)cn1
InChIInChI=1S/C15H20N2OS/c1-3-17-10-13(9-16-17)8-14(18)11-19-15-6-4-12(2)5-7-15/h4-7,9-10,14,18H,3,8,11H2,1-2H3
InChIKeyFIIZIEVMPBXDNZ-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.91
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol

1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66066757) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
PubChem CID66066757
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCCn1cc(CC(O)CSc2ccc(C)cc2)cn1
InChIInChI=1S/C15H20N2OS/c1-3-17-10-13(9-16-17)8-14(18)11-19-15-6-4-12(2)5-7-15/h4-7,9-10,14,18H,3,8,11H2,1-2H3
InChIKeyFIIZIEVMPBXDNZ-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66055086
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
CID 65141783
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(1-ethylpyrazol-4-yl)-4-ethylsulfanylbutan-2-ol
CID 116504737
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731
1-(4-methylphenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047903
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine
CID 65143155

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol (CID 66066757) is 1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol is CCn1cc(CC(O)CSc2ccc(C)cc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is FIIZIEVMPBXDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-17-10-13(9-16-17)8-14(18)11-19-15-6-4-12(2)5-7-15/h4-7,9-10,14,18H,3,8,11H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 276.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66066757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).