[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C25H20FN3O — CID 4114033

IUPAC[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C25H20FN3O/c1-17-15-19-7-5-6-10-23(19)29(17)25(30)22-16-28(21-8-3-2-4-9-21)27-24(22)18-11-13-20(26)14-12-18/h2-14,16-17H,15H2,1H3
InChIKeyOKEYYNAYLBNJDM-UHFFFAOYSA-N
MW397.45 g/mol
LogP5.27
Rot. Bonds3

About [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 4114033) has the molecular formula C25H20FN3O and a molecular weight of 397.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID4114033
Molecular FormulaC25H20FN3O
Molecular Weight397.45 g/mol
Exact Mass397.16
IUPAC Name[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C25H20FN3O/c1-17-15-19-7-5-6-10-23(19)29(17)25(30)22-16-28(21-8-3-2-4-9-21)27-24(22)18-11-13-20(26)14-12-18/h2-14,16-17H,15H2,1H3
InChIKeyOKEYYNAYLBNJDM-UHFFFAOYSA-N
XLogP5.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 4114033) is [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is OKEYYNAYLBNJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O/c1-17-15-19-7-5-6-10-23(19)29(17)25(30)22-16-28(21-8-3-2-4-9-21)27-24(22)18-11-13-20(26)14-12-18/h2-14,16-17H,15H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 397.45 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 4114033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).