1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol

C11H20N2OS — CID 82869244

IUPAC1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
SMILESCCC(C)SCC(O)Cc1ccn(C)n1
InChIInChI=1S/C11H20N2OS/c1-4-9(2)15-8-11(14)7-10-5-6-13(3)12-10/h5-6,9,11,14H,4,7-8H2,1-3H3
InChIKeyIFWKAMDRLZPYKI-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.86
Rot. Bonds6

About 1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol

1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol (PubChem CID 82869244) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
PubChem CID82869244
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
SMILESCCC(C)SCC(O)Cc1ccn(C)n1
InChIInChI=1S/C11H20N2OS/c1-4-9(2)15-8-11(14)7-10-5-6-13(3)12-10/h5-6,9,11,14H,4,7-8H2,1-3H3
InChIKeyIFWKAMDRLZPYKI-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227116
2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol
CID 103130607
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
1-butan-2-ylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047831
1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869370
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163
1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 65136247
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol (CID 82869244) is 1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol is CCC(C)SCC(O)Cc1ccn(C)n1.
What is the InChIKey of 1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol?
The InChIKey is IFWKAMDRLZPYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-9(2)15-8-11(14)7-10-5-6-13(3)12-10/h5-6,9,11,14H,4,7-8H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol?
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 82869244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).