(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol

C11H18N2O2S — CID 105130248

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol
SMILESCCn1ncc(OC)c1C(O)C1CCSC1
InChIInChI=1S/C11H18N2O2S/c1-3-13-10(9(15-2)6-12-13)11(14)8-4-5-16-7-8/h6,8,11,14H,3-5,7H2,1-2H3
InChIKeyGVVXZDHOHJXOBT-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.70
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol

(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol (PubChem CID 105130248) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol
PubChem CID105130248
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol
SMILESCCn1ncc(OC)c1C(O)C1CCSC1
InChIInChI=1S/C11H18N2O2S/c1-3-13-10(9(15-2)6-12-13)11(14)8-4-5-16-7-8/h6,8,11,14H,3-5,7H2,1-2H3
InChIKeyGVVXZDHOHJXOBT-UHFFFAOYSA-N
XLogP1.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837191
(3,5-dimethylcyclohex-3-en-1-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 103277409
2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol
CID 114104696
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol
CID 105130487
2-cyclohexyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanol
CID 114645947
2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105182788
3-bicyclo[3.1.0]hexanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837684
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444969
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methylcyclohexyl)methanol
CID 114636462
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127935

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol (CID 105130248) is (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol is CCn1ncc(OC)c1C(O)C1CCSC1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol?
The InChIKey is GVVXZDHOHJXOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-13-10(9(15-2)6-12-13)11(14)8-4-5-16-7-8/h6,8,11,14H,3-5,7H2,1-2H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol?
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol has a molecular weight of 242.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol is sourced from PubChem (CID 105130248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).