5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid

C24H19FN2O2 — CID 70313489

IUPAC5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2CCc2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O2/c25-20-14-12-19(13-15-20)23-21(24(28)29)16-26-27(23)22-9-5-4-8-18(22)11-10-17-6-2-1-3-7-17/h1-9,12-16H,10-11H2,(H,28,29)
InChIKeyPYEVDPZKTKDRFR-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.16
Rot. Bonds6

About 5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid

5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid (PubChem CID 70313489) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid
PubChem CID70313489
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2CCc2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O2/c25-20-14-12-19(13-15-20)23-21(24(28)29)16-26-27(23)22-9-5-4-8-18(22)11-10-17-6-2-1-3-7-17/h1-9,12-16H,10-11H2,(H,28,29)
InChIKeyPYEVDPZKTKDRFR-UHFFFAOYSA-N
XLogP5.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid (CID 70313489) is 5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2CCc2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid?
The InChIKey is PYEVDPZKTKDRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c25-20-14-12-19(13-15-20)23-21(24(28)29)16-26-27(23)22-9-5-4-8-18(22)11-10-17-6-2-1-3-7-17/h1-9,12-16H,10-11H2,(H,28,29).
What are the key properties of 5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid?
5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 70313489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).