4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane

C11H21ClN2O — CID 162378911

IUPAC4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane
SMILESCC.COCC(C)(C)n1ncc(Cl)c1C
InChIInChI=1S/C9H15ClN2O.C2H6/c1-7-8(10)5-11-12(7)9(2,3)6-13-4;1-2/h5H,6H2,1-4H3;1-2H3
InChIKeyZJJNJKYUTNFRTK-UHFFFAOYSA-N
MW232.75 g/mol
LogP3.25
Rot. Bonds3

About 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane

4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane (PubChem CID 162378911) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane.

Molecular Properties

Compound Name4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane
PubChem CID162378911
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane
SMILESCC.COCC(C)(C)n1ncc(Cl)c1C
InChIInChI=1S/C9H15ClN2O.C2H6/c1-7-8(10)5-11-12(7)9(2,3)6-13-4;1-2/h5H,6H2,1-4H3;1-2H3
InChIKeyZJJNJKYUTNFRTK-UHFFFAOYSA-N
XLogP3.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane?
The IUPAC name of 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane (CID 162378911) is 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane.
What is the SMILES notation for 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane?
The canonical SMILES for 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane is CC.COCC(C)(C)n1ncc(Cl)c1C.
What is the InChIKey of 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane?
The InChIKey is ZJJNJKYUTNFRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O.C2H6/c1-7-8(10)5-11-12(7)9(2,3)6-13-4;1-2/h5H,6H2,1-4H3;1-2H3.
What are the key properties of 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane?
4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane has a molecular weight of 232.75 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane is sourced from PubChem (CID 162378911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).