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

C12H22N2OS — CID 65135715

IUPAC2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)CSCC(C)C)cn1
InChIInChI=1S/C12H22N2OS/c1-4-5-14-7-11(6-13-14)12(15)9-16-8-10(2)3/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyYVFOCSRQYVNNDB-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.72
Rot. Bonds7

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

2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 65135715) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID65135715
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)CSCC(C)C)cn1
InChIInChI=1S/C12H22N2OS/c1-4-5-14-7-11(6-13-14)12(15)9-16-8-10(2)3/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyYVFOCSRQYVNNDB-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.72
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-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 66142695
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667
1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135062
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
4-butan-2-yl-1-propylpyrazole
CID 130194925
1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol
CID 103572625
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114643865
N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135434
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol (CID 65135715) is 2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)CSCC(C)C)cn1.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is YVFOCSRQYVNNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-5-14-7-11(6-13-14)12(15)9-16-8-10(2)3/h6-7,10,12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol?
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 242.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 65135715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).