2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol

C14H17BrN2OS — CID 66142695

IUPAC2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)CSc2ccccc2Br)cn1
InChIInChI=1S/C14H17BrN2OS/c1-2-7-17-9-11(8-16-17)13(18)10-19-14-6-4-3-5-12(14)15/h3-6,8-9,13,18H,2,7,10H2,1H3
InChIKeyNCZZWKLNKJUSEW-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.88
Rot. Bonds6

About 2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol

2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 66142695) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID66142695
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)CSc2ccccc2Br)cn1
InChIInChI=1S/C14H17BrN2OS/c1-2-7-17-9-11(8-16-17)13(18)10-19-14-6-4-3-5-12(14)15/h3-6,8-9,13,18H,2,7,10H2,1H3
InChIKeyNCZZWKLNKJUSEW-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 65142294
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
CID 66144643
2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665
2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66144447
2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 62829496
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
1-(2-bromophenyl)sulfanylpentan-2-ol
CID 66144436
1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66142724
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572729
(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114023332
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol (CID 66142695) is 2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)CSc2ccccc2Br)cn1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is NCZZWKLNKJUSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-2-7-17-9-11(8-16-17)13(18)10-19-14-6-4-3-5-12(14)15/h3-6,8-9,13,18H,2,7,10H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol?
2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 341.27 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 66142695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).