1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol

C11H20N2O2S — CID 103089700

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol
SMILESCCn1ncc(OC)c1C(O)CCCSC
InChIInChI=1S/C11H20N2O2S/c1-4-13-11(10(15-2)8-12-13)9(14)6-5-7-16-3/h8-9,14H,4-7H2,1-3H3
InChIKeyIRLASQNCUDSEPD-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.09
Rot. Bonds7

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol

1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol (PubChem CID 103089700) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol
PubChem CID103089700
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol
SMILESCCn1ncc(OC)c1C(O)CCCSC
InChIInChI=1S/C11H20N2O2S/c1-4-13-11(10(15-2)8-12-13)9(14)6-5-7-16-3/h8-9,14H,4-7H2,1-3H3
InChIKeyIRLASQNCUDSEPD-UHFFFAOYSA-N
XLogP2.09
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638597
3-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114645183
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089761
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
2-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114644642
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methylphenyl)ethanol
CID 114643227
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130141
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-methoxyphenyl)ethanol
CID 114643108
2-(3,5-dimethylphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114643392
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
CID 114636558

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol (CID 103089700) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol is CCn1ncc(OC)c1C(O)CCCSC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol?
The InChIKey is IRLASQNCUDSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-13-11(10(15-2)8-12-13)9(14)6-5-7-16-3/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol?
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol has a molecular weight of 244.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103089700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).