4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole

C5H9FN2 — CID 173379106

IUPAC4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole
SMILESCN1CC(CF)C=N1
InChIInChI=1S/C5H9FN2/c1-8-4-5(2-6)3-7-8/h3,5H,2,4H2,1H3
InChIKeyTUCGRBFQMFKTPL-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.50
Rot. Bonds1

About 4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole

4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole (PubChem CID 173379106) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole
PubChem CID173379106
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole
SMILESCN1CC(CF)C=N1
InChIInChI=1S/C5H9FN2/c1-8-4-5(2-6)3-7-8/h3,5H,2,4H2,1H3
InChIKeyTUCGRBFQMFKTPL-UHFFFAOYSA-N
XLogP0.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole?
The IUPAC name of 4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole (CID 173379106) is 4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole?
The canonical SMILES for 4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole is CN1CC(CF)C=N1.
What is the InChIKey of 4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole?
The InChIKey is TUCGRBFQMFKTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c1-8-4-5(2-6)3-7-8/h3,5H,2,4H2,1H3.
What are the key properties of 4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole?
4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole has a molecular weight of 116.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 173379106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).