5-chloro-1-(4-fluorophenyl)-3-methylpyrazole

C10H8ClFN2 — CID 2116869

IUPAC5-chloro-1-(4-fluorophenyl)-3-methylpyrazole
SMILESCc1cc(Cl)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H8ClFN2/c1-7-6-10(11)14(13-7)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyRRVVOJZLKYEREW-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.97
Rot. Bonds1

About 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole

5-chloro-1-(4-fluorophenyl)-3-methylpyrazole (PubChem CID 2116869) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-methylpyrazole
PubChem CID2116869
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-methylpyrazole
SMILESCc1cc(Cl)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H8ClFN2/c1-7-6-10(11)14(13-7)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyRRVVOJZLKYEREW-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 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole (CID 2116869) is 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole is Cc1cc(Cl)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole?
The InChIKey is RRVVOJZLKYEREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c1-7-6-10(11)14(13-7)9-4-2-8(12)3-5-9/h2-6H,1H3.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole?
5-chloro-1-(4-fluorophenyl)-3-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 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole is sourced from PubChem (CID 2116869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).