4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide

C23H18ClF3N4O2 — CID 135523950

IUPAC4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C23H18ClF3N4O2/c24-17-3-1-2-14(8-17)18-11-29-31-21(18)15-9-19(28-10-15)22(33)30-20(12-32)13-4-6-16(7-5-13)23(25,26)27/h1-11,20,28,32H,12H2,(H,29,31)(H,30,33)
InChIKeyULBBMFAYNFDAKN-UHFFFAOYSA-N
MW474.87 g/mol
LogP5.21
Rot. Bonds6

About 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 135523950) has the molecular formula C23H18ClF3N4O2 and a molecular weight of 474.87 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID135523950
Molecular FormulaC23H18ClF3N4O2
Molecular Weight474.87 g/mol
Exact Mass474.11
IUPAC Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C23H18ClF3N4O2/c24-17-3-1-2-14(8-17)18-11-29-31-21(18)15-9-19(28-10-15)22(33)30-20(12-32)13-4-6-16(7-5-13)23(25,26)27/h1-11,20,28,32H,12H2,(H,29,31)(H,30,33)
InChIKeyULBBMFAYNFDAKN-UHFFFAOYSA-N
XLogP5.21
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.87
LogP ≤ 55.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-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 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide (CID 135523950) is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide is O=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ULBBMFAYNFDAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4O2/c24-17-3-1-2-14(8-17)18-11-29-31-21(18)15-9-19(28-10-15)22(33)30-20(12-32)13-4-6-16(7-5-13)23(25,26)27/h1-11,20,28,32H,12H2,(H,29,31)(H,30,33).
What are the key properties of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 474.87 g/mol, XLogP of 5.21, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135523950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).