1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol

C8H13ClN2OS — CID 170144726

IUPAC1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol
SMILESCSc1cn(CC(C)(C)O)nc1Cl
InChIInChI=1S/C8H13ClN2OS/c1-8(2,12)5-11-4-6(13-3)7(9)10-11/h4,12H,5H2,1-3H3
InChIKeyGQZQZZUGHHPZEZ-UHFFFAOYSA-N
MW220.72 g/mol
LogP2.03
Rot. Bonds3

About 1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol

1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol (PubChem CID 170144726) has the molecular formula C8H13ClN2OS and a molecular weight of 220.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol
PubChem CID170144726
Molecular FormulaC8H13ClN2OS
Molecular Weight220.72 g/mol
Exact Mass220.04
IUPAC Name1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol
SMILESCSc1cn(CC(C)(C)O)nc1Cl
InChIInChI=1S/C8H13ClN2OS/c1-8(2,12)5-11-4-6(13-3)7(9)10-11/h4,12H,5H2,1-3H3
InChIKeyGQZQZZUGHHPZEZ-UHFFFAOYSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol (CID 170144726) is 1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol is CSc1cn(CC(C)(C)O)nc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is GQZQZZUGHHPZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2OS/c1-8(2,12)5-11-4-6(13-3)7(9)10-11/h4,12H,5H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol?
1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 220.72 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 170144726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).