1-(2-fluorophenyl)-4,5-dimethylpyrazole

C11H11FN2 — CID 21033985

IUPAC1-(2-fluorophenyl)-4,5-dimethylpyrazole
SMILESCc1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C11H11FN2/c1-8-7-13-14(9(8)2)11-6-4-3-5-10(11)12/h3-7H,1-2H3
InChIKeyKVVYWXLWTDFZFE-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.63
Rot. Bonds1

About 1-(2-fluorophenyl)-4,5-dimethylpyrazole

1-(2-fluorophenyl)-4,5-dimethylpyrazole (PubChem CID 21033985) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4,5-dimethylpyrazole
PubChem CID21033985
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name1-(2-fluorophenyl)-4,5-dimethylpyrazole
SMILESCc1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C11H11FN2/c1-8-7-13-14(9(8)2)11-6-4-3-5-10(11)12/h3-7H,1-2H3
InChIKeyKVVYWXLWTDFZFE-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4,5-dimethylpyrazole?
The IUPAC name of 1-(2-fluorophenyl)-4,5-dimethylpyrazole (CID 21033985) is 1-(2-fluorophenyl)-4,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-4,5-dimethylpyrazole?
The canonical SMILES for 1-(2-fluorophenyl)-4,5-dimethylpyrazole is Cc1cnn(-c2ccccc2F)c1C.
What is the InChIKey of 1-(2-fluorophenyl)-4,5-dimethylpyrazole?
The InChIKey is KVVYWXLWTDFZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-8-7-13-14(9(8)2)11-6-4-3-5-10(11)12/h3-7H,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4,5-dimethylpyrazole?
1-(2-fluorophenyl)-4,5-dimethylpyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4,5-dimethylpyrazole is sourced from PubChem (CID 21033985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).