1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid

C22H23FN2O2 — CID 5180327

IUPAC1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(CC(C)c2ccccc2)nn1-c1ccccc1F
InChIInChI=1S/C22H23FN2O2/c1-3-9-20-21(22(26)27)18(14-15(2)16-10-5-4-6-11-16)24-25(20)19-13-8-7-12-17(19)23/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,26,27)
InChIKeyLUXYHNZNFJOFRA-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.01
Rot. Bonds7

About 1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid

1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid (PubChem CID 5180327) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid
PubChem CID5180327
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(CC(C)c2ccccc2)nn1-c1ccccc1F
InChIInChI=1S/C22H23FN2O2/c1-3-9-20-21(22(26)27)18(14-15(2)16-10-5-4-6-11-16)24-25(20)19-13-8-7-12-17(19)23/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,26,27)
InChIKeyLUXYHNZNFJOFRA-UHFFFAOYSA-N
XLogP5.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid (CID 5180327) is 1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)c(CC(C)c2ccccc2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid?
The InChIKey is LUXYHNZNFJOFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-3-9-20-21(22(26)27)18(14-15(2)16-10-5-4-6-11-16)24-25(20)19-13-8-7-12-17(19)23/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,26,27).
What are the key properties of 1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid?
1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid has a molecular weight of 366.44 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 5180327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).