4-(fluoromethyl)-1H-pyrazole

C4H5FN2 — CID 67635481

IUPAC4-(fluoromethyl)-1H-pyrazole
SMILESFCc1cn[nH]c1
InChIInChI=1S/C4H5FN2/c5-1-4-2-6-7-3-4/h2-3H,1H2,(H,6,7)
InChIKeyQYHXVUUNXIXBDD-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.88
Rot. Bonds1

About 4-(fluoromethyl)-1H-pyrazole

4-(fluoromethyl)-1H-pyrazole (PubChem CID 67635481) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 4-(fluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(fluoromethyl)-1H-pyrazole
PubChem CID67635481
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name4-(fluoromethyl)-1H-pyrazole
SMILESFCc1cn[nH]c1
InChIInChI=1S/C4H5FN2/c5-1-4-2-6-7-3-4/h2-3H,1H2,(H,6,7)
InChIKeyQYHXVUUNXIXBDD-UHFFFAOYSA-N
XLogP0.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(fluoromethyl)-1H-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 4-(fluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(fluoromethyl)-1H-pyrazole (CID 67635481) is 4-(fluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(fluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(fluoromethyl)-1H-pyrazole is FCc1cn[nH]c1.
What is the InChIKey of 4-(fluoromethyl)-1H-pyrazole?
The InChIKey is QYHXVUUNXIXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-1-4-2-6-7-3-4/h2-3H,1H2,(H,6,7).
What are the key properties of 4-(fluoromethyl)-1H-pyrazole?
4-(fluoromethyl)-1H-pyrazole has a molecular weight of 100.10 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1H-pyrazole is sourced from PubChem (CID 67635481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).