2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol

C14H18N2OS — CID 65142294

IUPAC2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)CSc2ccccc2)cn1
InChIInChI=1S/C14H18N2OS/c1-2-8-16-10-12(9-15-16)14(17)11-18-13-6-4-3-5-7-13/h3-7,9-10,14,17H,2,8,11H2,1H3
InChIKeyFWKAMRKTRYYJED-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.12
Rot. Bonds6

About 2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol

2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 65142294) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID65142294
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)CSc2ccccc2)cn1
InChIInChI=1S/C14H18N2OS/c1-2-8-16-10-12(9-15-16)14(17)11-18-13-6-4-3-5-7-13/h3-7,9-10,14,17H,2,8,11H2,1H3
InChIKeyFWKAMRKTRYYJED-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 66142695
1-[1-(2-phenylsulfanylethyl)pyrazol-4-yl]propan-1-ol
CID 79228275
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
CID 65141783
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 103572276
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
1-(2-phenylsulfanylethyl)pyrazol-4-ol
CID 116799458
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572658
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol (CID 65142294) is 2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)CSc2ccccc2)cn1.
What is the InChIKey of 2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is FWKAMRKTRYYJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-8-16-10-12(9-15-16)14(17)11-18-13-6-4-3-5-7-13/h3-7,9-10,14,17H,2,8,11H2,1H3.
What are the key properties of 2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol?
2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 262.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 65142294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).