1-(4-fluorophenyl)-3-methylpyrazole

C10H9FN2 — CID 53443378

IUPAC1-(4-fluorophenyl)-3-methylpyrazole
SMILESCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN2/c1-8-6-7-13(12-8)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKeySIWQJXVMSFEFCO-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.32
Rot. Bonds1

About 1-(4-fluorophenyl)-3-methylpyrazole

1-(4-fluorophenyl)-3-methylpyrazole (PubChem CID 53443378) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylpyrazole
PubChem CID53443378
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name1-(4-fluorophenyl)-3-methylpyrazole
SMILESCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN2/c1-8-6-7-13(12-8)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKeySIWQJXVMSFEFCO-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methylpyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-methylpyrazole (CID 53443378) is 1-(4-fluorophenyl)-3-methylpyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylpyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylpyrazole is Cc1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylpyrazole?
The InChIKey is SIWQJXVMSFEFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-8-6-7-13(12-8)10-4-2-9(11)3-5-10/h2-7H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methylpyrazole?
1-(4-fluorophenyl)-3-methylpyrazole has a molecular weight of 176.19 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylpyrazole is sourced from PubChem (CID 53443378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).