4-chloro-1-(2-fluoroethyl)-3-methylpyrazole

C6H8ClFN2 — CID 97182111

IUPAC4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
SMILESCc1nn(CCF)cc1Cl
InChIInChI=1S/C6H8ClFN2/c1-5-6(7)4-10(9-5)3-2-8/h4H,2-3H2,1H3
InChIKeyGTMVMYDDRIXMGY-UHFFFAOYSA-N
MW162.59 g/mol
LogP1.81
Rot. Bonds2

About 4-chloro-1-(2-fluoroethyl)-3-methylpyrazole

4-chloro-1-(2-fluoroethyl)-3-methylpyrazole (PubChem CID 97182111) has the molecular formula C6H8ClFN2 and a molecular weight of 162.59 g/mol. Its IUPAC name is 4-chloro-1-(2-fluoroethyl)-3-methylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
PubChem CID97182111
Molecular FormulaC6H8ClFN2
Molecular Weight162.59 g/mol
Exact Mass162.04
IUPAC Name4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
SMILESCc1nn(CCF)cc1Cl
InChIInChI=1S/C6H8ClFN2/c1-5-6(7)4-10(9-5)3-2-8/h4H,2-3H2,1H3
InChIKeyGTMVMYDDRIXMGY-UHFFFAOYSA-N
XLogP1.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.59
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-fluoroethyl)-3-methylpyrazole?
The IUPAC name of 4-chloro-1-(2-fluoroethyl)-3-methylpyrazole (CID 97182111) is 4-chloro-1-(2-fluoroethyl)-3-methylpyrazole.
What is the SMILES notation for 4-chloro-1-(2-fluoroethyl)-3-methylpyrazole?
The canonical SMILES for 4-chloro-1-(2-fluoroethyl)-3-methylpyrazole is Cc1nn(CCF)cc1Cl.
What is the InChIKey of 4-chloro-1-(2-fluoroethyl)-3-methylpyrazole?
The InChIKey is GTMVMYDDRIXMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN2/c1-5-6(7)4-10(9-5)3-2-8/h4H,2-3H2,1H3.
What are the key properties of 4-chloro-1-(2-fluoroethyl)-3-methylpyrazole?
4-chloro-1-(2-fluoroethyl)-3-methylpyrazole has a molecular weight of 162.59 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-fluoroethyl)-3-methylpyrazole is sourced from PubChem (CID 97182111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).