2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid

C20H19F2N3O3 — CID 69299532

IUPAC2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESO=C(O)C1=NN(c2cc(F)ccc2F)C(N2CCOCC2)C1c1ccccc1
InChIInChI=1S/C20H19F2N3O3/c21-14-6-7-15(22)16(12-14)25-19(24-8-10-28-11-9-24)17(18(23-25)20(26)27)13-4-2-1-3-5-13/h1-7,12,17,19H,8-11H2,(H,26,27)
InChIKeyUTYDCKBBTULQBH-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.67
Rot. Bonds4

About 2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid

2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid (PubChem CID 69299532) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid
PubChem CID69299532
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESO=C(O)C1=NN(c2cc(F)ccc2F)C(N2CCOCC2)C1c1ccccc1
InChIInChI=1S/C20H19F2N3O3/c21-14-6-7-15(22)16(12-14)25-19(24-8-10-28-11-9-24)17(18(23-25)20(26)27)13-4-2-1-3-5-13/h1-7,12,17,19H,8-11H2,(H,26,27)
InChIKeyUTYDCKBBTULQBH-UHFFFAOYSA-N
XLogP2.67
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid?
The IUPAC name of 2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid (CID 69299532) is 2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid?
The canonical SMILES for 2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid is O=C(O)C1=NN(c2cc(F)ccc2F)C(N2CCOCC2)C1c1ccccc1.
What is the InChIKey of 2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid?
The InChIKey is UTYDCKBBTULQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c21-14-6-7-15(22)16(12-14)25-19(24-8-10-28-11-9-24)17(18(23-25)20(26)27)13-4-2-1-3-5-13/h1-7,12,17,19H,8-11H2,(H,26,27).
What are the key properties of 2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid?
2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid has a molecular weight of 387.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-3-morpholin-4-yl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid is sourced from PubChem (CID 69299532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).