4-(4-fluorophenyl)-1-methylpyrazole

C10H9FN2 — CID 12946648

IUPAC4-(4-fluorophenyl)-1-methylpyrazole
SMILESCn1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C10H9FN2/c1-13-7-9(6-12-13)8-2-4-10(11)5-3-8/h2-7H,1H3
InChIKeyKSXUYLPLFRMQRY-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.23
Rot. Bonds1

About 4-(4-fluorophenyl)-1-methylpyrazole

4-(4-fluorophenyl)-1-methylpyrazole (PubChem CID 12946648) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methylpyrazole
PubChem CID12946648
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name4-(4-fluorophenyl)-1-methylpyrazole
SMILESCn1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C10H9FN2/c1-13-7-9(6-12-13)8-2-4-10(11)5-3-8/h2-7H,1H3
InChIKeyKSXUYLPLFRMQRY-UHFFFAOYSA-N
XLogP2.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methylpyrazole?
The IUPAC name of 4-(4-fluorophenyl)-1-methylpyrazole (CID 12946648) is 4-(4-fluorophenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methylpyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-1-methylpyrazole is Cn1cc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methylpyrazole?
The InChIKey is KSXUYLPLFRMQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-13-7-9(6-12-13)8-2-4-10(11)5-3-8/h2-7H,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-methylpyrazole?
4-(4-fluorophenyl)-1-methylpyrazole has a molecular weight of 176.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methylpyrazole is sourced from PubChem (CID 12946648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).