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

C12H12ClFN2 — CID 66020942

IUPAC5-chloro-1-(2-fluorophenyl)-3-propylpyrazole
SMILESCCCc1cc(Cl)n(-c2ccccc2F)n1
InChIInChI=1S/C12H12ClFN2/c1-2-5-9-8-12(13)16(15-9)11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3
InChIKeyGTWOHMPTIQYSNB-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.62
Rot. Bonds3

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

5-chloro-1-(2-fluorophenyl)-3-propylpyrazole (PubChem CID 66020942) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 5-chloro-1-(2-fluorophenyl)-3-propylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(2-fluorophenyl)-3-propylpyrazole
PubChem CID66020942
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name5-chloro-1-(2-fluorophenyl)-3-propylpyrazole
SMILESCCCc1cc(Cl)n(-c2ccccc2F)n1
InChIInChI=1S/C12H12ClFN2/c1-2-5-9-8-12(13)16(15-9)11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3
InChIKeyGTWOHMPTIQYSNB-UHFFFAOYSA-N
XLogP3.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-fluorophenyl)-3-propylpyrazole?
The IUPAC name of 5-chloro-1-(2-fluorophenyl)-3-propylpyrazole (CID 66020942) is 5-chloro-1-(2-fluorophenyl)-3-propylpyrazole.
What is the SMILES notation for 5-chloro-1-(2-fluorophenyl)-3-propylpyrazole?
The canonical SMILES for 5-chloro-1-(2-fluorophenyl)-3-propylpyrazole is CCCc1cc(Cl)n(-c2ccccc2F)n1.
What is the InChIKey of 5-chloro-1-(2-fluorophenyl)-3-propylpyrazole?
The InChIKey is GTWOHMPTIQYSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2/c1-2-5-9-8-12(13)16(15-9)11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 5-chloro-1-(2-fluorophenyl)-3-propylpyrazole?
5-chloro-1-(2-fluorophenyl)-3-propylpyrazole has a molecular weight of 238.69 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-fluorophenyl)-3-propylpyrazole is sourced from PubChem (CID 66020942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).