1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid

C20H17F2N3O3 — CID 3877688

IUPAC1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C20H17F2N3O3/c21-14-3-6-18(16(22)11-14)25-19(20(26)27)12-17(23-25)13-1-4-15(5-2-13)24-7-9-28-10-8-24/h1-6,11-12H,7-10H2,(H,26,27)
InChIKeyMFALGLIDMOWGLN-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.35
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid

1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid (PubChem CID 3877688) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid
PubChem CID3877688
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C20H17F2N3O3/c21-14-3-6-18(16(22)11-14)25-19(20(26)27)12-17(23-25)13-1-4-15(5-2-13)24-7-9-28-10-8-24/h1-6,11-12H,7-10H2,(H,26,27)
InChIKeyMFALGLIDMOWGLN-UHFFFAOYSA-N
XLogP3.35
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid (CID 3877688) is 1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is MFALGLIDMOWGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c21-14-3-6-18(16(22)11-14)25-19(20(26)27)12-17(23-25)13-1-4-15(5-2-13)24-7-9-28-10-8-24/h1-6,11-12H,7-10H2,(H,26,27).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid?
1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 385.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 3877688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).