4-(2-fluoroethyl)-1H-pyrazole

C5H7FN2 — CID 123383309

IUPAC4-(2-fluoroethyl)-1H-pyrazole
SMILESFCCc1cn[nH]c1
InChIInChI=1S/C5H7FN2/c6-2-1-5-3-7-8-4-5/h3-4H,1-2H2,(H,7,8)
InChIKeyFGHRPJVSBDIPTB-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.92
Rot. Bonds2

About 4-(2-fluoroethyl)-1H-pyrazole

4-(2-fluoroethyl)-1H-pyrazole (PubChem CID 123383309) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1H-pyrazole
PubChem CID123383309
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name4-(2-fluoroethyl)-1H-pyrazole
SMILESFCCc1cn[nH]c1
InChIInChI=1S/C5H7FN2/c6-2-1-5-3-7-8-4-5/h3-4H,1-2H2,(H,7,8)
InChIKeyFGHRPJVSBDIPTB-UHFFFAOYSA-N
XLogP0.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 152327
CID 151416
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CID 23005583
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CID 12777795
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CID 12933274
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CID 14969657
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CID 22280261
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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1H-pyrazole?
The IUPAC name of 4-(2-fluoroethyl)-1H-pyrazole (CID 123383309) is 4-(2-fluoroethyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-fluoroethyl)-1H-pyrazole?
The canonical SMILES for 4-(2-fluoroethyl)-1H-pyrazole is FCCc1cn[nH]c1.
What is the InChIKey of 4-(2-fluoroethyl)-1H-pyrazole?
The InChIKey is FGHRPJVSBDIPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-2-1-5-3-7-8-4-5/h3-4H,1-2H2,(H,7,8).
What are the key properties of 4-(2-fluoroethyl)-1H-pyrazole?
4-(2-fluoroethyl)-1H-pyrazole has a molecular weight of 114.12 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1H-pyrazole is sourced from PubChem (CID 123383309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).