5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide

C22H22F3N5O — CID 4552721

IUPAC5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
SMILESCN1CCN(c2ccc(-c3ccnn3C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C22H22F3N5O/c1-28-11-13-29(14-12-28)19-7-5-16(6-8-19)20-9-10-26-30(20)21(31)27-18-4-2-3-17(15-18)22(23,24)25/h2-10,15H,11-14H2,1H3,(H,27,31)
InChIKeyYYJYVZGLQYRJOT-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.40
Rot. Bonds3

About 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide

5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide (PubChem CID 4552721) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
PubChem CID4552721
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
SMILESCN1CCN(c2ccc(-c3ccnn3C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C22H22F3N5O/c1-28-11-13-29(14-12-28)19-7-5-16(6-8-19)20-9-10-26-30(20)21(31)27-18-4-2-3-17(15-18)22(23,24)25/h2-10,15H,11-14H2,1H3,(H,27,31)
InChIKeyYYJYVZGLQYRJOT-UHFFFAOYSA-N
XLogP4.40
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109186547
5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide
CID 7032134
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
1-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122357114
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 4898733
1-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 43992106
N-[3-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 69131119
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
4-methyl-2-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 66504153
4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 46382952
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide (CID 4552721) is 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide is CN1CCN(c2ccc(-c3ccnn3C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The InChIKey is YYJYVZGLQYRJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O/c1-28-11-13-29(14-12-28)19-7-5-16(6-8-19)20-9-10-26-30(20)21(31)27-18-4-2-3-17(15-18)22(23,24)25/h2-10,15H,11-14H2,1H3,(H,27,31).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 4552721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).