N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C92H66F12N20S — CID 161093567

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCC(C)(C)c1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1.FC(F)(F)c1ccccc1-c1nc(Nc2[nH]ncc2-c2ccccc2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2[nH]ncc2-c2cccs2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2cc(-c3ccccc3)[nH]n2)c2ccccc2n1
InChIInChI=1S/2C24H16F3N5.C22H14F3N5S.C22H20F3N5/c25-24(26,27)19-12-6-4-10-16(19)21-29-20-13-7-5-11-17(20)22(30-21)31-23-18(14-28-32-23)15-8-2-1-3-9-15;25-24(26,27)18-12-6-4-10-16(18)22-28-19-13-7-5-11-17(19)23(30-22)29-21-14-20(31-32-21)15-8-2-1-3-9-15;23-22(24,25)16-8-3-1-6-13(16)19-27-17-9-4-2-7-14(17)20(28-19)29-21-15(12-26-30-21)18-10-5-11-31-18;1-21(2,3)17-12-18(30-29-17)27-20-14-9-5-7-11-16(14)26-19(28-20)13-8-4-6-10-15(13)22(23,24)25/h2*1-14H,(H2,28,29,30,31,32);1-12H,(H2,26,27,28,29,30);4-12H,1-3H3,(H2,26,27,28,29,30)
InChIKeyUHMMWUHGLVWRLZ-UHFFFAOYSA-N
MW1711.72 g/mol
LogP25.49
Rot. Bonds15

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 161093567) has the molecular formula C92H66F12N20S and a molecular weight of 1711.72 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID161093567
Molecular FormulaC92H66F12N20S
Molecular Weight1711.72 g/mol
Exact Mass1710.53
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCC(C)(C)c1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1.FC(F)(F)c1ccccc1-c1nc(Nc2[nH]ncc2-c2ccccc2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2[nH]ncc2-c2cccs2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2cc(-c3ccccc3)[nH]n2)c2ccccc2n1
InChIInChI=1S/2C24H16F3N5.C22H14F3N5S.C22H20F3N5/c25-24(26,27)19-12-6-4-10-16(19)21-29-20-13-7-5-11-17(20)22(30-21)31-23-18(14-28-32-23)15-8-2-1-3-9-15;25-24(26,27)18-12-6-4-10-16(18)22-28-19-13-7-5-11-17(19)23(30-22)29-21-14-20(31-32-21)15-8-2-1-3-9-15;23-22(24,25)16-8-3-1-6-13(16)19-27-17-9-4-2-7-14(17)20(28-19)29-21-15(12-26-30-21)18-10-5-11-31-18;1-21(2,3)17-12-18(30-29-17)27-20-14-9-5-7-11-16(14)26-19(28-20)13-8-4-6-10-15(13)22(23,24)25/h2*1-14H,(H2,28,29,30,31,32);1-12H,(H2,26,27,28,29,30);4-12H,1-3H3,(H2,26,27,28,29,30)
InChIKeyUHMMWUHGLVWRLZ-UHFFFAOYSA-N
XLogP25.49
TPSA265.96 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001711.72
LogP ≤ 525.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine with MolForge

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Related Compounds

N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10225053
2-[2-(fluoromethyl)phenyl]-N-(4-thiophen-2-yl-1H-pyrazol-5-yl)quinazolin-4-amine
CID 70839712
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664888
6-[[6-(1-benzothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;1-hydroxy-6-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-1-ium;6-[[6-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline
CID 158079807
2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 158255706
N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158605585
N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 158643800
2-N-[(3,4-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 159462820
bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 159623445
2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[[3-(1,1-difluoroethyl)phenyl]methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 160332497
4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;methane;2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-methyl-3-(trifluoromethyl)phenyl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine
CID 160686358
2-N-[(4-tert-butylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-dimethylphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 160832915

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 161093567) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is CC(C)(C)c1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1.FC(F)(F)c1ccccc1-c1nc(Nc2[nH]ncc2-c2ccccc2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2[nH]ncc2-c2cccs2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2cc(-c3ccccc3)[nH]n2)c2ccccc2n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is UHMMWUHGLVWRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16F3N5.C22H14F3N5S.C22H20F3N5/c25-24(26,27)19-12-6-4-10-16(19)21-29-20-13-7-5-11-17(20)22(30-21)31-23-18(14-28-32-23)15-8-2-1-3-9-15;25-24(26,27)18-12-6-4-10-16(18)22-28-19-13-7-5-11-17(19)23(30-22)29-21-14-20(31-32-21)15-8-2-1-3-9-15;23-22(24,25)16-8-3-1-6-13(16)19-27-17-9-4-2-7-14(17)20(28-19)29-21-15(12-26-30-21)18-10-5-11-31-18;1-21(2,3)17-12-18(30-29-17)27-20-14-9-5-7-11-16(14)26-19(28-20)13-8-4-6-10-15(13)22(23,24)25/h2*1-14H,(H2,28,29,30,31,32);1-12H,(H2,26,27,28,29,30);4-12H,1-3H3,(H2,26,27,28,29,30).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 1711.72 g/mol, XLogP of 25.49, 15 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-phenyl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(4-thiophen-2-yl-1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 161093567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).