1-(fluoromethyl)pyrazole

C4H5FN2 — CID 67077490

IUPAC1-(fluoromethyl)pyrazole
SMILESFCn1cccn1
InChIInChI=1S/C4H5FN2/c5-4-7-3-1-2-6-7/h1-3H,4H2
InChIKeyYTVWHWVFMFLPKF-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.81
Rot. Bonds1

About 1-(fluoromethyl)pyrazole

1-(fluoromethyl)pyrazole (PubChem CID 67077490) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 1-(fluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(fluoromethyl)pyrazole
PubChem CID67077490
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name1-(fluoromethyl)pyrazole
SMILESFCn1cccn1
InChIInChI=1S/C4H5FN2/c5-4-7-3-1-2-6-7/h1-3H,4H2
InChIKeyYTVWHWVFMFLPKF-UHFFFAOYSA-N
XLogP0.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(fluoromethyl)pyrazole 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 1-(fluoromethyl)pyrazole?
The IUPAC name of 1-(fluoromethyl)pyrazole (CID 67077490) is 1-(fluoromethyl)pyrazole.
What is the SMILES notation for 1-(fluoromethyl)pyrazole?
The canonical SMILES for 1-(fluoromethyl)pyrazole is FCn1cccn1.
What is the InChIKey of 1-(fluoromethyl)pyrazole?
The InChIKey is YTVWHWVFMFLPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-4-7-3-1-2-6-7/h1-3H,4H2.
What are the key properties of 1-(fluoromethyl)pyrazole?
1-(fluoromethyl)pyrazole has a molecular weight of 100.10 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)pyrazole is sourced from PubChem (CID 67077490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).