2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone

C19H17FN2O2 — CID 148817334

IUPAC2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone
SMILESCOc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H17FN2O2/c1-22-12-15(11-21-22)14-6-7-17(19(10-14)24-2)18(23)9-13-4-3-5-16(20)8-13/h3-8,10-12H,9H2,1-2H3
InChIKeyORCCKLWOZBVNFV-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.66
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone

2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone (PubChem CID 148817334) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone
PubChem CID148817334
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone
SMILESCOc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H17FN2O2/c1-22-12-15(11-21-22)14-6-7-17(19(10-14)24-2)18(23)9-13-4-3-5-16(20)8-13/h3-8,10-12H,9H2,1-2H3
InChIKeyORCCKLWOZBVNFV-UHFFFAOYSA-N
XLogP3.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone (CID 148817334) is 2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone is COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone?
The InChIKey is ORCCKLWOZBVNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-22-12-15(11-21-22)14-6-7-17(19(10-14)24-2)18(23)9-13-4-3-5-16(20)8-13/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone?
2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone has a molecular weight of 324.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 148817334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).