4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol

C11H20N2OS — CID 103089922

IUPAC4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol
SMILESCCCn1nccc1C(O)CCCSC
InChIInChI=1S/C11H20N2OS/c1-3-8-13-10(6-7-12-13)11(14)5-4-9-15-2/h6-7,11,14H,3-5,8-9H2,1-2H3
InChIKeyYOLXFEDOTXFMMU-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.47
Rot. Bonds7

About 4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol

4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol (PubChem CID 103089922) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol
PubChem CID103089922
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol
SMILESCCCn1nccc1C(O)CCCSC
InChIInChI=1S/C11H20N2OS/c1-3-8-13-10(6-7-12-13)11(14)5-4-9-15-2/h6-7,11,14H,3-5,8-9H2,1-2H3
InChIKeyYOLXFEDOTXFMMU-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.47
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

3-(dimethylamino)-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 115345864
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 115414903
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677
2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556932
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
2-(5-ethyl-2-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114557095
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
The IUPAC name of 4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol (CID 103089922) is 4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol.
What is the SMILES notation for 4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
The canonical SMILES for 4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol is CCCn1nccc1C(O)CCCSC.
What is the InChIKey of 4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
The InChIKey is YOLXFEDOTXFMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-8-13-10(6-7-12-13)11(14)5-4-9-15-2/h6-7,11,14H,3-5,8-9H2,1-2H3.
What are the key properties of 4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol is sourced from PubChem (CID 103089922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).