1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol

C14H18N2OS — CID 65141783

IUPAC1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
SMILESCCn1cc(CC(O)CSc2ccccc2)cn1
InChIInChI=1S/C14H18N2OS/c1-2-16-10-12(9-15-16)8-13(17)11-18-14-6-4-3-5-7-14/h3-7,9-10,13,17H,2,8,11H2,1H3
InChIKeyAOTZJUNBIACMJN-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.60
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol

1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol (PubChem CID 65141783) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
PubChem CID65141783
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
SMILESCCn1cc(CC(O)CSc2ccccc2)cn1
InChIInChI=1S/C14H18N2OS/c1-2-16-10-12(9-15-16)8-13(17)11-18-14-6-4-3-5-7-14/h3-7,9-10,13,17H,2,8,11H2,1H3
InChIKeyAOTZJUNBIACMJN-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066757
1-(4-bromophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66055086
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine
CID 65143155
1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780635
1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65141825
2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 65142294
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731
1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol
CID 63084667
1-(1-ethylpyrazol-4-yl)-4-ethylsulfanylbutan-2-ol
CID 116504737
1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66147872
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
4-(3-chloro-2-methyl-3-phenylpropyl)-1-ethylpyrazole
CID 113460170

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol (CID 65141783) is 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol is CCn1cc(CC(O)CSc2ccccc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol?
The InChIKey is AOTZJUNBIACMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-16-10-12(9-15-16)8-13(17)11-18-14-6-4-3-5-7-14/h3-7,9-10,13,17H,2,8,11H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol?
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol has a molecular weight of 262.38 g/mol, XLogP of 2.60, 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-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 65141783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).