1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol

C10H17BrN2OS — CID 103089761

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol
SMILESCCn1ncc(Br)c1C(O)CCCSC
InChIInChI=1S/C10H17BrN2OS/c1-3-13-10(8(11)7-12-13)9(14)5-4-6-15-2/h7,9,14H,3-6H2,1-2H3
InChIKeyDVOYRIHWOODUGL-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.84
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol

1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol (PubChem CID 103089761) has the molecular formula C10H17BrN2OS and a molecular weight of 293.23 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol
PubChem CID103089761
Molecular FormulaC10H17BrN2OS
Molecular Weight293.23 g/mol
Exact Mass292.02
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol
SMILESCCn1ncc(Br)c1C(O)CCCSC
InChIInChI=1S/C10H17BrN2OS/c1-3-13-10(8(11)7-12-13)9(14)5-4-6-15-2/h7,9,14H,3-6H2,1-2H3
InChIKeyDVOYRIHWOODUGL-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089700
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylsulfanylethanol
CID 114643899
1-(4-bromo-1-ethylpyrazol-5-yl)-3,5,5-trimethylhexan-1-ol
CID 115834803
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol (CID 103089761) is 1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol is CCn1ncc(Br)c1C(O)CCCSC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol?
The InChIKey is DVOYRIHWOODUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2OS/c1-3-13-10(8(11)7-12-13)9(14)5-4-6-15-2/h7,9,14H,3-6H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol?
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol has a molecular weight of 293.23 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103089761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).