4-(fluoromethyl)-1-methylpyrazole

C5H7FN2 — CID 58297065

IUPAC4-(fluoromethyl)-1-methylpyrazole
SMILESCn1cc(CF)cn1
InChIInChI=1S/C5H7FN2/c1-8-4-5(2-6)3-7-8/h3-4H,2H2,1H3
InChIKeyCSDKYWUHDYTARS-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.89
Rot. Bonds1

About 4-(fluoromethyl)-1-methylpyrazole

4-(fluoromethyl)-1-methylpyrazole (PubChem CID 58297065) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(fluoromethyl)-1-methylpyrazole
PubChem CID58297065
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name4-(fluoromethyl)-1-methylpyrazole
SMILESCn1cc(CF)cn1
InChIInChI=1S/C5H7FN2/c1-8-4-5(2-6)3-7-8/h3-4H,2H2,1H3
InChIKeyCSDKYWUHDYTARS-UHFFFAOYSA-N
XLogP0.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-methylpyrazole?
The IUPAC name of 4-(fluoromethyl)-1-methylpyrazole (CID 58297065) is 4-(fluoromethyl)-1-methylpyrazole.
What is the SMILES notation for 4-(fluoromethyl)-1-methylpyrazole?
The canonical SMILES for 4-(fluoromethyl)-1-methylpyrazole is Cn1cc(CF)cn1.
What is the InChIKey of 4-(fluoromethyl)-1-methylpyrazole?
The InChIKey is CSDKYWUHDYTARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-8-4-5(2-6)3-7-8/h3-4H,2H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-methylpyrazole?
4-(fluoromethyl)-1-methylpyrazole has a molecular weight of 114.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-methylpyrazole is sourced from PubChem (CID 58297065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).