3-chloro-1-(2-fluorophenyl)-5-methylpyrazole

C10H8ClFN2 — CID 59022674

IUPAC3-chloro-1-(2-fluorophenyl)-5-methylpyrazole
SMILESCc1cc(Cl)nn1-c1ccccc1F
InChIInChI=1S/C10H8ClFN2/c1-7-6-10(11)13-14(7)9-5-3-2-4-8(9)12/h2-6H,1H3
InChIKeyAENJTEDBMMXBMF-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.97
Rot. Bonds1

About 3-chloro-1-(2-fluorophenyl)-5-methylpyrazole

3-chloro-1-(2-fluorophenyl)-5-methylpyrazole (PubChem CID 59022674) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 3-chloro-1-(2-fluorophenyl)-5-methylpyrazole.

Molecular Properties

Compound Name3-chloro-1-(2-fluorophenyl)-5-methylpyrazole
PubChem CID59022674
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name3-chloro-1-(2-fluorophenyl)-5-methylpyrazole
SMILESCc1cc(Cl)nn1-c1ccccc1F
InChIInChI=1S/C10H8ClFN2/c1-7-6-10(11)13-14(7)9-5-3-2-4-8(9)12/h2-6H,1H3
InChIKeyAENJTEDBMMXBMF-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-fluorophenyl)-5-methylpyrazole?
The IUPAC name of 3-chloro-1-(2-fluorophenyl)-5-methylpyrazole (CID 59022674) is 3-chloro-1-(2-fluorophenyl)-5-methylpyrazole.
What is the SMILES notation for 3-chloro-1-(2-fluorophenyl)-5-methylpyrazole?
The canonical SMILES for 3-chloro-1-(2-fluorophenyl)-5-methylpyrazole is Cc1cc(Cl)nn1-c1ccccc1F.
What is the InChIKey of 3-chloro-1-(2-fluorophenyl)-5-methylpyrazole?
The InChIKey is AENJTEDBMMXBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c1-7-6-10(11)13-14(7)9-5-3-2-4-8(9)12/h2-6H,1H3.
What are the key properties of 3-chloro-1-(2-fluorophenyl)-5-methylpyrazole?
3-chloro-1-(2-fluorophenyl)-5-methylpyrazole has a molecular weight of 210.64 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-fluorophenyl)-5-methylpyrazole is sourced from PubChem (CID 59022674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).