1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol

C14H24N2O2S — CID 105130487

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol
SMILESCCCn1ncc(OC)c1C(O)CC1CCSCC1
InChIInChI=1S/C14H24N2O2S/c1-3-6-16-14(13(18-2)10-15-16)12(17)9-11-4-7-19-8-5-11/h10-12,17H,3-9H2,1-2H3
InChIKeyJBBMBRZPYIJKLP-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.87
Rot. Bonds6

About 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol

1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol (PubChem CID 105130487) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol
PubChem CID105130487
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol
SMILESCCCn1ncc(OC)c1C(O)CC1CCSCC1
InChIInChI=1S/C14H24N2O2S/c1-3-6-16-14(13(18-2)10-15-16)12(17)9-11-4-7-19-8-5-11/h10-12,17H,3-9H2,1-2H3
InChIKeyJBBMBRZPYIJKLP-UHFFFAOYSA-N
XLogP2.87
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
3-bicyclo[3.1.0]hexanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837684
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114644693
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methylcyclohexyl)methanol
CID 114636462
2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 103169677
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol
CID 105130248
2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 105048780
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol
CID 105130553
(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol (CID 105130487) is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol is CCCn1ncc(OC)c1C(O)CC1CCSCC1.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol?
The InChIKey is JBBMBRZPYIJKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-6-16-14(13(18-2)10-15-16)12(17)9-11-4-7-19-8-5-11/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol?
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol has a molecular weight of 284.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol is sourced from PubChem (CID 105130487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).