5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole

C14H17FN2 — CID 90162115

IUPAC5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole
SMILESCC(F)c1cc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C14H17FN2/c1-10(2)17-14(11(3)15)9-13(16-17)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyHVCZFRLQKQGBMD-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.16
Rot. Bonds3

About 5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole

5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole (PubChem CID 90162115) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole
PubChem CID90162115
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole
SMILESCC(F)c1cc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C14H17FN2/c1-10(2)17-14(11(3)15)9-13(16-17)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyHVCZFRLQKQGBMD-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole?
The IUPAC name of 5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole (CID 90162115) is 5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole?
The canonical SMILES for 5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole is CC(F)c1cc(-c2ccccc2)nn1C(C)C.
What is the InChIKey of 5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole?
The InChIKey is HVCZFRLQKQGBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10(2)17-14(11(3)15)9-13(16-17)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole?
5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole has a molecular weight of 232.30 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 90162115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).