1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol

C11H20N2OS — CID 64785469

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
SMILESCCC(C)n1ccc(CC(O)CSC)n1
InChIInChI=1S/C11H20N2OS/c1-4-9(2)13-6-5-10(12-13)7-11(14)8-15-3/h5-6,9,11,14H,4,7-8H2,1-3H3
InChIKeySJQOUOAYGIORRX-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.12
Rot. Bonds6

About 1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol

1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol (PubChem CID 64785469) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
PubChem CID64785469
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
SMILESCCC(C)n1ccc(CC(O)CSC)n1
InChIInChI=1S/C11H20N2OS/c1-4-9(2)13-6-5-10(12-13)7-11(14)8-15-3/h5-6,9,11,14H,4,7-8H2,1-3H3
InChIKeySJQOUOAYGIORRX-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol
CID 116659983
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol
CID 64783184
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-3-one
CID 64784588
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 64784273
3-(3-bromo-2-methylpentyl)-1-butan-2-ylpyrazole
CID 64778850
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol
CID 83139654
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol (CID 64785469) is 1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol is CCC(C)n1ccc(CC(O)CSC)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol?
The InChIKey is SJQOUOAYGIORRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-9(2)13-6-5-10(12-13)7-11(14)8-15-3/h5-6,9,11,14H,4,7-8H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol?
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 64785469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).