4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide

C31H30F3N5O3 — CID 169271462

IUPAC4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCN(C(=O)c3cc(-n4cc(-c5cccc(O)c5)cn4)cc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C31H30F3N5O3/c1-2-10-35-29(41)21-6-8-26(9-7-21)37-11-13-38(14-12-37)30(42)23-15-25(31(32,33)34)18-27(16-23)39-20-24(19-36-39)22-4-3-5-28(40)17-22/h3-9,15-20,40H,2,10-14H2,1H3,(H,35,41)
InChIKeyLPZIGIYZXLSARA-UHFFFAOYSA-N
MW577.61 g/mol
LogP5.37
Rot. Bonds7

About 4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide

4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide (PubChem CID 169271462) has the molecular formula C31H30F3N5O3 and a molecular weight of 577.61 g/mol. Its IUPAC name is 4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
PubChem CID169271462
Molecular FormulaC31H30F3N5O3
Molecular Weight577.61 g/mol
Exact Mass577.23
IUPAC Name4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCN(C(=O)c3cc(-n4cc(-c5cccc(O)c5)cn4)cc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C31H30F3N5O3/c1-2-10-35-29(41)21-6-8-26(9-7-21)37-11-13-38(14-12-37)30(42)23-15-25(31(32,33)34)18-27(16-23)39-20-24(19-36-39)22-4-3-5-28(40)17-22/h3-9,15-20,40H,2,10-14H2,1H3,(H,35,41)
InChIKeyLPZIGIYZXLSARA-UHFFFAOYSA-N
XLogP5.37
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.61
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide 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-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide?
The IUPAC name of 4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide (CID 169271462) is 4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide.
What is the SMILES notation for 4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide?
The canonical SMILES for 4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide is CCCNC(=O)c1ccc(N2CCN(C(=O)c3cc(-n4cc(-c5cccc(O)c5)cn4)cc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide?
The InChIKey is LPZIGIYZXLSARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N5O3/c1-2-10-35-29(41)21-6-8-26(9-7-21)37-11-13-38(14-12-37)30(42)23-15-25(31(32,33)34)18-27(16-23)39-20-24(19-36-39)22-4-3-5-28(40)17-22/h3-9,15-20,40H,2,10-14H2,1H3,(H,35,41).
What are the key properties of 4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide?
4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide has a molecular weight of 577.61 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide is sourced from PubChem (CID 169271462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).