1-[(2-fluorophenyl)methyl]-4-propylpyrazole

C13H15FN2 — CID 70850606

IUPAC1-[(2-fluorophenyl)methyl]-4-propylpyrazole
SMILESCCCc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C13H15FN2/c1-2-5-11-8-15-16(9-11)10-12-6-3-4-7-13(12)14/h3-4,6-9H,2,5,10H2,1H3
InChIKeyDOKXSVSYGPZEJK-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.02
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-4-propylpyrazole

1-[(2-fluorophenyl)methyl]-4-propylpyrazole (PubChem CID 70850606) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-propylpyrazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-propylpyrazole
PubChem CID70850606
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name1-[(2-fluorophenyl)methyl]-4-propylpyrazole
SMILESCCCc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C13H15FN2/c1-2-5-11-8-15-16(9-11)10-12-6-3-4-7-13(12)14/h3-4,6-9H,2,5,10H2,1H3
InChIKeyDOKXSVSYGPZEJK-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-propylpyrazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-propylpyrazole (CID 70850606) is 1-[(2-fluorophenyl)methyl]-4-propylpyrazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-propylpyrazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-propylpyrazole is CCCc1cnn(Cc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-propylpyrazole?
The InChIKey is DOKXSVSYGPZEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-2-5-11-8-15-16(9-11)10-12-6-3-4-7-13(12)14/h3-4,6-9H,2,5,10H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-propylpyrazole?
1-[(2-fluorophenyl)methyl]-4-propylpyrazole has a molecular weight of 218.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-propylpyrazole is sourced from PubChem (CID 70850606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).