4-(2-fluorophenyl)-1-methylpyrazole

C10H9FN2 — CID 79001775

IUPAC4-(2-fluorophenyl)-1-methylpyrazole
SMILESCn1cc(-c2ccccc2F)cn1
InChIInChI=1S/C10H9FN2/c1-13-7-8(6-12-13)9-4-2-3-5-10(9)11/h2-7H,1H3
InChIKeyNQWOIXPKXMFURJ-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.23
Rot. Bonds1

About 4-(2-fluorophenyl)-1-methylpyrazole

4-(2-fluorophenyl)-1-methylpyrazole (PubChem CID 79001775) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-methylpyrazole
PubChem CID79001775
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name4-(2-fluorophenyl)-1-methylpyrazole
SMILESCn1cc(-c2ccccc2F)cn1
InChIInChI=1S/C10H9FN2/c1-13-7-8(6-12-13)9-4-2-3-5-10(9)11/h2-7H,1H3
InChIKeyNQWOIXPKXMFURJ-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

Analyze 4-(2-fluorophenyl)-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-methylpyrazole?
The IUPAC name of 4-(2-fluorophenyl)-1-methylpyrazole (CID 79001775) is 4-(2-fluorophenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(2-fluorophenyl)-1-methylpyrazole?
The canonical SMILES for 4-(2-fluorophenyl)-1-methylpyrazole is Cn1cc(-c2ccccc2F)cn1.
What is the InChIKey of 4-(2-fluorophenyl)-1-methylpyrazole?
The InChIKey is NQWOIXPKXMFURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-13-7-8(6-12-13)9-4-2-3-5-10(9)11/h2-7H,1H3.
What are the key properties of 4-(2-fluorophenyl)-1-methylpyrazole?
4-(2-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-(2-fluorophenyl)-1-methylpyrazole is sourced from PubChem (CID 79001775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).