4-(2-fluoro-4-methylphenyl)-1-methylpyrazole

C11H11FN2 — CID 121373425

IUPAC4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
SMILESCc1ccc(-c2cnn(C)c2)c(F)c1
InChIInChI=1S/C11H11FN2/c1-8-3-4-10(11(12)5-8)9-6-13-14(2)7-9/h3-7H,1-2H3
InChIKeyXKISYBCOVLZJTM-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.53
Rot. Bonds1

About 4-(2-fluoro-4-methylphenyl)-1-methylpyrazole

4-(2-fluoro-4-methylphenyl)-1-methylpyrazole (PubChem CID 121373425) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
PubChem CID121373425
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
SMILESCc1ccc(-c2cnn(C)c2)c(F)c1
InChIInChI=1S/C11H11FN2/c1-8-3-4-10(11(12)5-8)9-6-13-14(2)7-9/h3-7H,1-2H3
InChIKeyXKISYBCOVLZJTM-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)-1-methylpyrazole?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)-1-methylpyrazole (CID 121373425) is 4-(2-fluoro-4-methylphenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)-1-methylpyrazole?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)-1-methylpyrazole is Cc1ccc(-c2cnn(C)c2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)-1-methylpyrazole?
The InChIKey is XKISYBCOVLZJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-8-3-4-10(11(12)5-8)9-6-13-14(2)7-9/h3-7H,1-2H3.
What are the key properties of 4-(2-fluoro-4-methylphenyl)-1-methylpyrazole?
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylphenyl)-1-methylpyrazole is sourced from PubChem (CID 121373425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).