3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide

C26H23FN4O4S — CID 3351443

IUPAC3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H23FN4O4S/c27-20-11-9-19(10-12-20)25-24(18-31(29-25)22-6-2-1-3-7-22)26(32)28-21-5-4-8-23(17-21)36(33,34)30-13-15-35-16-14-30/h1-12,17-18H,13-16H2,(H,28,32)
InChIKeyDPMWJOOETMPQLX-UHFFFAOYSA-N
MW506.56 g/mol
LogP3.95
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 3351443) has the molecular formula C26H23FN4O4S and a molecular weight of 506.56 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID3351443
Molecular FormulaC26H23FN4O4S
Molecular Weight506.56 g/mol
Exact Mass506.14
IUPAC Name3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H23FN4O4S/c27-20-11-9-19(10-12-20)25-24(18-31(29-25)22-6-2-1-3-7-22)26(32)28-21-5-4-8-23(17-21)36(33,34)30-13-15-35-16-14-30/h1-12,17-18H,13-16H2,(H,28,32)
InChIKeyDPMWJOOETMPQLX-UHFFFAOYSA-N
XLogP3.95
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide (CID 3351443) is 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is DPMWJOOETMPQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4S/c27-20-11-9-19(10-12-20)25-24(18-31(29-25)22-6-2-1-3-7-22)26(32)28-21-5-4-8-23(17-21)36(33,34)30-13-15-35-16-14-30/h1-12,17-18H,13-16H2,(H,28,32).
What are the key properties of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 506.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 3351443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).