1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole

C20H15FN2O — CID 169450283

IUPAC1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole
SMILESFc1ccccc1Cn1nc(-c2ccco2)cc1-c1ccccc1
InChIInChI=1S/C20H15FN2O/c21-17-10-5-4-9-16(17)14-23-19(15-7-2-1-3-8-15)13-18(22-23)20-11-6-12-24-20/h1-13H,14H2
InChIKeySGYHGRWAQXPRKW-UHFFFAOYSA-N
MW318.35 g/mol
LogP5.00
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole

1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole (PubChem CID 169450283) has the molecular formula C20H15FN2O and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole
PubChem CID169450283
Molecular FormulaC20H15FN2O
Molecular Weight318.35 g/mol
Exact Mass318.12
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole
SMILESFc1ccccc1Cn1nc(-c2ccco2)cc1-c1ccccc1
InChIInChI=1S/C20H15FN2O/c21-17-10-5-4-9-16(17)14-23-19(15-7-2-1-3-8-15)13-18(22-23)20-11-6-12-24-20/h1-13H,14H2
InChIKeySGYHGRWAQXPRKW-UHFFFAOYSA-N
XLogP5.00
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole (CID 169450283) is 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole is Fc1ccccc1Cn1nc(-c2ccco2)cc1-c1ccccc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole?
The InChIKey is SGYHGRWAQXPRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O/c21-17-10-5-4-9-16(17)14-23-19(15-7-2-1-3-8-15)13-18(22-23)20-11-6-12-24-20/h1-13H,14H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole?
1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole has a molecular weight of 318.35 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole is sourced from PubChem (CID 169450283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).