1-[(3-fluorophenyl)methyl]-4-methylpyrazole

C11H11FN2 — CID 63278979

IUPAC1-[(3-fluorophenyl)methyl]-4-methylpyrazole
SMILESCc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C11H11FN2/c1-9-6-13-14(7-9)8-10-3-2-4-11(12)5-10/h2-7H,8H2,1H3
InChIKeyZVYZXJPZTTXDJV-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.38
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-4-methylpyrazole

1-[(3-fluorophenyl)methyl]-4-methylpyrazole (PubChem CID 63278979) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-methylpyrazole
PubChem CID63278979
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name1-[(3-fluorophenyl)methyl]-4-methylpyrazole
SMILESCc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C11H11FN2/c1-9-6-13-14(7-9)8-10-3-2-4-11(12)5-10/h2-7H,8H2,1H3
InChIKeyZVYZXJPZTTXDJV-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-methylpyrazole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-methylpyrazole (CID 63278979) is 1-[(3-fluorophenyl)methyl]-4-methylpyrazole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-methylpyrazole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-methylpyrazole is Cc1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-methylpyrazole?
The InChIKey is ZVYZXJPZTTXDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-9-6-13-14(7-9)8-10-3-2-4-11(12)5-10/h2-7H,8H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-methylpyrazole?
1-[(3-fluorophenyl)methyl]-4-methylpyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-methylpyrazole is sourced from PubChem (CID 63278979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).