N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine

C106H86F12N14 — CID 162060553

IUPACN-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine
SMILESCN1CCN(c2ccc(-n3nc(C(F)(F)F)cc3-c3ccc4c(ccc5ccccc54)c3)cc2)CC1.CNc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C)cc3)cc2)cc1.CNc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1.FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc43)c2)nn1-c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C29H25F3N4.C28H23F3N4.C25H18F3N3.C24H20F3N3/c1-34-14-16-35(17-15-34)23-9-11-24(12-10-23)36-27(19-28(33-36)29(30,31)32)22-8-13-26-21(18-22)7-6-20-4-2-3-5-25(20)26;29-28(30,31)27-18-26(21-7-12-25-20(17-21)6-5-19-3-1-2-4-24(19)25)33-35(27)23-10-8-22(9-11-23)34-15-13-32-14-16-34;1-29-19-9-11-20(12-10-19)31-23(15-24(30-31)25(26,27)28)18-8-13-22-17(14-18)7-6-16-4-2-3-5-21(16)22;1-16-3-5-17(6-4-16)18-7-9-19(10-8-18)22-15-23(24(25,26)27)29-30(22)21-13-11-20(28-2)12-14-21/h2-13,18-19H,14-17H2,1H3;1-12,17-18,32H,13-16H2;2-15,29H,1H3;3-15,28H,1-2H3
InChIKeyYZTXIPWJRYXIMZ-UHFFFAOYSA-N
MW1783.93 g/mol
LogP26.37
Rot. Bonds13

About N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine

N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine (PubChem CID 162060553) has the molecular formula C106H86F12N14 and a molecular weight of 1783.93 g/mol. Its IUPAC name is N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine.

Molecular Properties

Compound NameN-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine
PubChem CID162060553
Molecular FormulaC106H86F12N14
Molecular Weight1783.93 g/mol
Exact Mass1782.70
IUPAC NameN-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine
SMILESCN1CCN(c2ccc(-n3nc(C(F)(F)F)cc3-c3ccc4c(ccc5ccccc54)c3)cc2)CC1.CNc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C)cc3)cc2)cc1.CNc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1.FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc43)c2)nn1-c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C29H25F3N4.C28H23F3N4.C25H18F3N3.C24H20F3N3/c1-34-14-16-35(17-15-34)23-9-11-24(12-10-23)36-27(19-28(33-36)29(30,31)32)22-8-13-26-21(18-22)7-6-20-4-2-3-5-25(20)26;29-28(30,31)27-18-26(21-7-12-25-20(17-21)6-5-19-3-1-2-4-24(19)25)33-35(27)23-10-8-22(9-11-23)34-15-13-32-14-16-34;1-29-19-9-11-20(12-10-19)31-23(15-24(30-31)25(26,27)28)18-8-13-22-17(14-18)7-6-16-4-2-3-5-21(16)22;1-16-3-5-17(6-4-16)18-7-9-19(10-8-18)22-15-23(24(25,26)27)29-30(22)21-13-11-20(28-2)12-14-21/h2-13,18-19H,14-17H2,1H3;1-12,17-18,32H,13-16H2;2-15,29H,1H3;3-15,28H,1-2H3
InChIKeyYZTXIPWJRYXIMZ-UHFFFAOYSA-N
XLogP26.37
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001783.93
LogP ≤ 526.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-Phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine
CID 57671268
1-Methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine
CID 89532247
N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine
CID 157779332
N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 158802628
2-amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide;2-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]guanidine
CID 158944046
bis(2-amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide);hydrochloride
CID 162214910
1,2-Bis(3,5-dimethylpyrazol-1-yl)-anti-[2.2]paracyclonaphthane
CID 139067176
CID 168321590
CID 168321590
4-(4,5-Dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene
CID 123620754
5-[6-(1,3-Diphenylpyrazol-5-yl)naphthalen-2-yl]-1,3-diphenylpyrazole;5-[4-[4-(1,3-diphenylpyrazol-5-yl)phenyl]phenyl]-1,3-diphenylpyrazole;3-naphthalen-1-yl-5-[4-(3-naphthalen-1-yl-1-phenylpyrazol-5-yl)phenyl]-1-phenylpyrazole;1,3,4-triphenyl-5-[4-(1,3,4-triphenylpyrazol-5-yl)phenyl]pyrazole
CID 158085708
N,N-diphenyl-4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]aniline;4-[5-(4-naphthalen-1-ylphenyl)-3-phenylpyrazol-1-yl]-N,N-diphenylaniline;4-[5-(4-naphthalen-2-ylphenyl)-3-phenylpyrazol-1-yl]-N,N-diphenylaniline;4-(5-naphthalen-2-yl-3-phenylpyrazol-1-yl)-N,N-diphenylaniline
CID 158218297
4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2,6-difluoro-3-methylphenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2,6-difluoro-4-methylphenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluoro-6-methylphenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 158474060

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine?
The IUPAC name of N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine (CID 162060553) is N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine.
What is the SMILES notation for N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine?
The canonical SMILES for N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine is CN1CCN(c2ccc(-n3nc(C(F)(F)F)cc3-c3ccc4c(ccc5ccccc54)c3)cc2)CC1.CNc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C)cc3)cc2)cc1.CNc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1.FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc43)c2)nn1-c1ccc(N2CCNCC2)cc1.
What is the InChIKey of N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine?
The InChIKey is YZTXIPWJRYXIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N4.C28H23F3N4.C25H18F3N3.C24H20F3N3/c1-34-14-16-35(17-15-34)23-9-11-24(12-10-23)36-27(19-28(33-36)29(30,31)32)22-8-13-26-21(18-22)7-6-20-4-2-3-5-25(20)26;29-28(30,31)27-18-26(21-7-12-25-20(17-21)6-5-19-3-1-2-4-24(19)25)33-35(27)23-10-8-22(9-11-23)34-15-13-32-14-16-34;1-29-19-9-11-20(12-10-19)31-23(15-24(30-31)25(26,27)28)18-8-13-22-17(14-18)7-6-16-4-2-3-5-21(16)22;1-16-3-5-17(6-4-16)18-7-9-19(10-8-18)22-15-23(24(25,26)27)29-30(22)21-13-11-20(28-2)12-14-21/h2-13,18-19H,14-17H2,1H3;1-12,17-18,32H,13-16H2;2-15,29H,1H3;3-15,28H,1-2H3.
What are the key properties of N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine?
N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine has a molecular weight of 1783.93 g/mol, XLogP of 26.37, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[4-(4-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]aniline;N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline;1-methyl-4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine;1-[4-[3-phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine is sourced from PubChem (CID 162060553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).