3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide

C31H32F3N5O2 — CID 118366024

IUPAC3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)NC(C)(C)C)cc2)n1
InChIInChI=1S/C31H32F3N5O2/c1-30(2,3)37-29(41)36-24-13-16-26(17-14-24)39-27(19-25(38-39)15-18-28(40)35-4)22-7-5-20(6-8-22)21-9-11-23(12-10-21)31(32,33)34/h5-14,16-17,19H,15,18H2,1-4H3,(H,35,40)(H2,36,37,41)
InChIKeyBNNXUCVSLUBUTJ-UHFFFAOYSA-N
MW563.62 g/mol
LogP6.82
Rot. Bonds7

About 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide

3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide (PubChem CID 118366024) has the molecular formula C31H32F3N5O2 and a molecular weight of 563.62 g/mol. Its IUPAC name is 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
PubChem CID118366024
Molecular FormulaC31H32F3N5O2
Molecular Weight563.62 g/mol
Exact Mass563.25
IUPAC Name3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)NC(C)(C)C)cc2)n1
InChIInChI=1S/C31H32F3N5O2/c1-30(2,3)37-29(41)36-24-13-16-26(17-14-24)39-27(19-25(38-39)15-18-28(40)35-4)22-7-5-20(6-8-22)21-9-11-23(12-10-21)31(32,33)34/h5-14,16-17,19H,15,18H2,1-4H3,(H,35,40)(H2,36,37,41)
InChIKeyBNNXUCVSLUBUTJ-UHFFFAOYSA-N
XLogP6.82
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.62
LogP ≤ 56.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide 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

3-[1-[4-(dimethylsulfamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 118366027
N-methyl-3-[1-(4-nitrophenyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propanamide
CID 54577458
N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 118366030
3-[1-[4-[4-(aminomethyl)triazol-1-yl]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 118374821
3-[1-[4-[4-(methanesulfonamidomethyl)triazol-1-yl]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 73051542
2-methyl-N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 123878143
N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
CID 123902147
N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
CID 56602623
3-[1-[4-[4-(methanesulfonamidomethyl)triazol-1-yl]phenyl]-5-[4-(4-methylphenyl)phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 118372519
1-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-3-[1-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-one
CID 56642289
N-methyl-3-[4-(trifluoromethyl)anilino]propanamide
CID 62326575
1-[3-[5-(4-ethylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 67992576

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide?
The IUPAC name of 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide (CID 118366024) is 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide is CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)NC(C)(C)C)cc2)n1.
What is the InChIKey of 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide?
The InChIKey is BNNXUCVSLUBUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N5O2/c1-30(2,3)37-29(41)36-24-13-16-26(17-14-24)39-27(19-25(38-39)15-18-28(40)35-4)22-7-5-20(6-8-22)21-9-11-23(12-10-21)31(32,33)34/h5-14,16-17,19H,15,18H2,1-4H3,(H,35,40)(H2,36,37,41).
What are the key properties of 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide?
3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide has a molecular weight of 563.62 g/mol, XLogP of 6.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide is sourced from PubChem (CID 118366024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).