N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine

C27H20F6N6 — CID 126729548

IUPACN,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(-c3cc(C(F)(F)F)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)cc1
InChIInChI=1S/C27H20F6N6/c1-15-3-7-17(8-4-15)39(18-9-5-16(2)6-10-18)19-11-20(22-13-24(37-35-22)26(28,29)30)34-21(12-19)23-14-25(38-36-23)27(31,32)33/h3-14H,1-2H3,(H,35,37)(H,36,38)
InChIKeyMJZHFVXQCZQVMM-UHFFFAOYSA-N
MW542.49 g/mol
LogP7.99
Rot. Bonds5

About N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine

N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine (PubChem CID 126729548) has the molecular formula C27H20F6N6 and a molecular weight of 542.49 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
PubChem CID126729548
Molecular FormulaC27H20F6N6
Molecular Weight542.49 g/mol
Exact Mass542.17
IUPAC NameN,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(-c3cc(C(F)(F)F)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)cc1
InChIInChI=1S/C27H20F6N6/c1-15-3-7-17(8-4-15)39(18-9-5-16(2)6-10-18)19-11-20(22-13-24(37-35-22)26(28,29)30)34-21(12-19)23-14-25(38-36-23)27(31,32)33/h3-14H,1-2H3,(H,35,37)(H,36,38)
InChIKeyMJZHFVXQCZQVMM-UHFFFAOYSA-N
XLogP7.99
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.49
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine 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

N,N-bis(4-tert-butylphenyl)-4-[2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-yl]aniline
CID 153445593
2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 129314749
4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine
CID 162286715
6-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]isoquinoline
CID 90278552
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 70808059
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
3-(4-propoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 142669971
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158678691
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The IUPAC name of N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine (CID 126729548) is N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine.
What is the SMILES notation for N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The canonical SMILES for N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine is Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3cc(C(F)(F)F)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The InChIKey is MJZHFVXQCZQVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F6N6/c1-15-3-7-17(8-4-15)39(18-9-5-16(2)6-10-18)19-11-20(22-13-24(37-35-22)26(28,29)30)34-21(12-19)23-14-25(38-36-23)27(31,32)33/h3-14H,1-2H3,(H,35,37)(H,36,38).
What are the key properties of N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine has a molecular weight of 542.49 g/mol, XLogP of 7.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine is sourced from PubChem (CID 126729548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).