5-chloro-3-ethyl-1-methylpyrazole

C6H9ClN2 — CID 12035666

IUPAC5-chloro-3-ethyl-1-methylpyrazole
SMILESCCc1cc(Cl)n(C)n1
InChIInChI=1S/C6H9ClN2/c1-3-5-4-6(7)9(2)8-5/h4H,3H2,1-2H3
InChIKeyXZZMBFVRHGIIGW-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.64
Rot. Bonds1

About 5-chloro-3-ethyl-1-methylpyrazole

5-chloro-3-ethyl-1-methylpyrazole (PubChem CID 12035666) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-methylpyrazole
PubChem CID12035666
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name5-chloro-3-ethyl-1-methylpyrazole
SMILESCCc1cc(Cl)n(C)n1
InChIInChI=1S/C6H9ClN2/c1-3-5-4-6(7)9(2)8-5/h4H,3H2,1-2H3
InChIKeyXZZMBFVRHGIIGW-UHFFFAOYSA-N
XLogP1.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-methylpyrazole?
The IUPAC name of 5-chloro-3-ethyl-1-methylpyrazole (CID 12035666) is 5-chloro-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 5-chloro-3-ethyl-1-methylpyrazole?
The canonical SMILES for 5-chloro-3-ethyl-1-methylpyrazole is CCc1cc(Cl)n(C)n1.
What is the InChIKey of 5-chloro-3-ethyl-1-methylpyrazole?
The InChIKey is XZZMBFVRHGIIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-3-5-4-6(7)9(2)8-5/h4H,3H2,1-2H3.
What are the key properties of 5-chloro-3-ethyl-1-methylpyrazole?
5-chloro-3-ethyl-1-methylpyrazole has a molecular weight of 144.60 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 12035666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).