3-fluoro-1,4-dimethylpyrazole

C5H7FN2 — CID 58906089

IUPAC3-fluoro-1,4-dimethylpyrazole
SMILESCc1cn(C)nc1F
InChIInChI=1S/C5H7FN2/c1-4-3-8(2)7-5(4)6/h3H,1-2H3
InChIKeyNYFCQYMJJCADBN-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.87
Rot. Bonds

About 3-fluoro-1,4-dimethylpyrazole

3-fluoro-1,4-dimethylpyrazole (PubChem CID 58906089) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 3-fluoro-1,4-dimethylpyrazole.

Molecular Properties

Compound Name3-fluoro-1,4-dimethylpyrazole
PubChem CID58906089
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name3-fluoro-1,4-dimethylpyrazole
SMILESCc1cn(C)nc1F
InChIInChI=1S/C5H7FN2/c1-4-3-8(2)7-5(4)6/h3H,1-2H3
InChIKeyNYFCQYMJJCADBN-UHFFFAOYSA-N
XLogP0.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,4-dimethylpyrazole?
The IUPAC name of 3-fluoro-1,4-dimethylpyrazole (CID 58906089) is 3-fluoro-1,4-dimethylpyrazole.
What is the SMILES notation for 3-fluoro-1,4-dimethylpyrazole?
The canonical SMILES for 3-fluoro-1,4-dimethylpyrazole is Cc1cn(C)nc1F.
What is the InChIKey of 3-fluoro-1,4-dimethylpyrazole?
The InChIKey is NYFCQYMJJCADBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-4-3-8(2)7-5(4)6/h3H,1-2H3.
What are the key properties of 3-fluoro-1,4-dimethylpyrazole?
3-fluoro-1,4-dimethylpyrazole has a molecular weight of 114.12 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,4-dimethylpyrazole is sourced from PubChem (CID 58906089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).