1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol

C9H16N2OS — CID 65134458

IUPAC1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol
SMILESCC(C)SCC(O)c1ccnn1C
InChIInChI=1S/C9H16N2OS/c1-7(2)13-6-9(12)8-4-5-10-11(8)3/h4-5,7,9,12H,6H2,1-3H3
InChIKeyYYCDIYJBSQUBGS-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.60
Rot. Bonds4

About 1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol

1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol (PubChem CID 65134458) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol
PubChem CID65134458
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol
SMILESCC(C)SCC(O)c1ccnn1C
InChIInChI=1S/C9H16N2OS/c1-7(2)13-6-9(12)8-4-5-10-11(8)3/h4-5,7,9,12H,6H2,1-3H3
InChIKeyYYCDIYJBSQUBGS-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol
CID 65131088
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
CID 66144643
3-amino-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 82595670
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 105098269
3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 63961178
3-ethyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 114554038
2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 63960739
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130
2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid
CID 170825003
(R)-(2-methylpyrazol-3-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 124512855

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol (CID 65134458) is 1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol is CC(C)SCC(O)c1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol?
The InChIKey is YYCDIYJBSQUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(2)13-6-9(12)8-4-5-10-11(8)3/h4-5,7,9,12H,6H2,1-3H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol?
1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol has a molecular weight of 200.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol is sourced from PubChem (CID 65134458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).