2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol

C13H24N2OS — CID 66105545

IUPAC2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol
SMILESCCC(CC)n1ccc(CSCC(C)CO)n1
InChIInChI=1S/C13H24N2OS/c1-4-13(5-2)15-7-6-12(14-15)10-17-9-11(3)8-16/h6-7,11,13,16H,4-5,8-10H2,1-3H3
InChIKeyVZDQBUGGKSBRLA-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.11
Rot. Bonds8

About 2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol

2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol (PubChem CID 66105545) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol
PubChem CID66105545
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol
SMILESCCC(CC)n1ccc(CSCC(C)CO)n1
InChIInChI=1S/C13H24N2OS/c1-4-13(5-2)15-7-6-12(14-15)10-17-9-11(3)8-16/h6-7,11,13,16H,4-5,8-10H2,1-3H3
InChIKeyVZDQBUGGKSBRLA-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]ethanol
CID 64783656
2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 64783969
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66219953
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
6-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 64801750
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol (CID 66105545) is 2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol is CCC(CC)n1ccc(CSCC(C)CO)n1.
What is the InChIKey of 2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol?
The InChIKey is VZDQBUGGKSBRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-13(5-2)15-7-6-12(14-15)10-17-9-11(3)8-16/h6-7,11,13,16H,4-5,8-10H2,1-3H3.
What are the key properties of 2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol?
2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol has a molecular weight of 256.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66105545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).