1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

C138H107Cl4F9N12S2 — CID 160997405

IUPAC1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)n(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)n1.Cc1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)n1.Clc1ccc(C(Nc2nccs2)(c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc(C(Nc2nccs2)(c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc(C(c2ccccc2)(c2ccccc2)n2cccn2)cc1.FC(F)(F)c1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)n1
InChIInChI=1S/C24H21ClN2.C23H16ClF3N2.C23H19ClN2.C23H17F3N2S.C23H17F3N2.C22H17ClN2S/c1-18-17-19(2)27(26-18)24(20-11-5-3-6-12-20,21-13-7-4-8-14-21)22-15-9-10-16-23(22)25;24-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)29-16-15-21(28-29)23(25,26)27;1-18-16-17-26(25-18)23(19-10-4-2-5-11-19,20-12-6-3-7-13-20)21-14-8-9-15-22(21)24;24-23(25,26)20-13-11-19(12-14-20)22(17-7-3-1-4-8-17,18-9-5-2-6-10-18)28-21-27-15-16-29-21;24-23(25,26)21-14-12-20(13-15-21)22(28-17-7-16-27-28,18-8-3-1-4-9-18)19-10-5-2-6-11-19;23-20-13-11-19(12-14-20)22(17-7-3-1-4-8-17,18-9-5-2-6-10-18)25-21-24-15-16-26-21/h3-17H,1-2H3;1-16H;2-17H,1H3;1-16H,(H,27,28);1-17H;1-16H,(H,24,25)
InChIKeyTVKVIWRCZHQJAG-UHFFFAOYSA-N
MW2310.39 g/mol
LogP36.58
Rot. Bonds26

About 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 160997405) has the molecular formula C138H107Cl4F9N12S2 and a molecular weight of 2310.39 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID160997405
Molecular FormulaC138H107Cl4F9N12S2
Molecular Weight2310.39 g/mol
Exact Mass2306.68
IUPAC Name1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)n(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)n1.Cc1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)n1.Clc1ccc(C(Nc2nccs2)(c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc(C(Nc2nccs2)(c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc(C(c2ccccc2)(c2ccccc2)n2cccn2)cc1.FC(F)(F)c1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)n1
InChIInChI=1S/C24H21ClN2.C23H16ClF3N2.C23H19ClN2.C23H17F3N2S.C23H17F3N2.C22H17ClN2S/c1-18-17-19(2)27(26-18)24(20-11-5-3-6-12-20,21-13-7-4-8-14-21)22-15-9-10-16-23(22)25;24-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)29-16-15-21(28-29)23(25,26)27;1-18-16-17-26(25-18)23(19-10-4-2-5-11-19,20-12-6-3-7-13-20)21-14-8-9-15-22(21)24;24-23(25,26)20-13-11-19(12-14-20)22(17-7-3-1-4-8-17,18-9-5-2-6-10-18)28-21-27-15-16-29-21;24-23(25,26)21-14-12-20(13-15-21)22(28-17-7-16-27-28,18-8-3-1-4-9-18)19-10-5-2-6-11-19;23-20-13-11-19(12-14-20)22(17-7-3-1-4-8-17,18-9-5-2-6-10-18)25-21-24-15-16-26-21/h3-17H,1-2H3;1-16H;2-17H,1H3;1-16H,(H,27,28);1-17H;1-16H,(H,24,25)
InChIKeyTVKVIWRCZHQJAG-UHFFFAOYSA-N
XLogP36.58
TPSA121.12 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002310.39
LogP ≤ 536.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium
CID 161250920
1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 161506795
1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;1-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)pyrazole
CID 162220801

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (CID 160997405) is 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is Cc1cc(C)n(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)n1.Cc1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)n1.Clc1ccc(C(Nc2nccs2)(c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc(C(Nc2nccs2)(c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc(C(c2ccccc2)(c2ccccc2)n2cccn2)cc1.FC(F)(F)c1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)n1.
What is the InChIKey of 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is TVKVIWRCZHQJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2.C23H16ClF3N2.C23H19ClN2.C23H17F3N2S.C23H17F3N2.C22H17ClN2S/c1-18-17-19(2)27(26-18)24(20-11-5-3-6-12-20,21-13-7-4-8-14-21)22-15-9-10-16-23(22)25;24-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)29-16-15-21(28-29)23(25,26)27;1-18-16-17-26(25-18)23(19-10-4-2-5-11-19,20-12-6-3-7-13-20)21-14-8-9-15-22(21)24;24-23(25,26)20-13-11-19(12-14-20)22(17-7-3-1-4-8-17,18-9-5-2-6-10-18)28-21-27-15-16-29-21;24-23(25,26)21-14-12-20(13-15-21)22(28-17-7-16-27-28,18-8-3-1-4-9-18)19-10-5-2-6-11-19;23-20-13-11-19(12-14-20)22(17-7-3-1-4-8-17,18-9-5-2-6-10-18)25-21-24-15-16-26-21/h3-17H,1-2H3;1-16H;2-17H,1H3;1-16H,(H,27,28);1-17H;1-16H,(H,24,25).
What are the key properties of 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 2310.39 g/mol, XLogP of 36.58, 26 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 160997405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).