N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole

C117H124Cl6N16O8 — CID 159134741

IUPACN-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole
SMILESCC1=NN=C(CCc2c(Cl)cccc2Oc2cc(C)ccc2C(C)C)C1.CC1=NN=C(CCc2c(Cl)cccc2Oc2ccc(C)cc2)C1.COc1ccc(Oc2cccc(Cl)c2CCC2=NN=C(C)C2)cc1.COc1cccc(Oc2cccc(Cl)c2CCC2=NN=C(C)C2)c1.Cc1cc(C)cc(Oc2cccc(Cl)c2CNc2n[nH]c(C)n2)c1.Cc1nc(NCc2c(Cl)cccc2Oc2ccc(C(C)(C)C)cc2)n[nH]1
InChIInChI=1S/C22H25ClN2O.C20H23ClN4O.2C19H19ClN2O2.C19H19ClN2O.C18H19ClN4O/c1-14(2)18-10-8-15(3)12-22(18)26-21-7-5-6-20(23)19(21)11-9-17-13-16(4)24-25-17;1-13-23-19(25-24-13)22-12-16-17(21)6-5-7-18(16)26-15-10-8-14(9-11-15)20(2,3)4;1-13-11-14(22-21-13)9-10-17-18(20)7-4-8-19(17)24-16-6-3-5-15(12-16)23-2;1-13-12-14(22-21-13)6-11-17-18(20)4-3-5-19(17)24-16-9-7-15(23-2)8-10-16;1-13-6-9-16(10-7-13)23-19-5-3-4-18(20)17(19)11-8-15-12-14(2)21-22-15;1-11-7-12(2)9-14(8-11)24-17-6-4-5-16(19)15(17)10-20-18-21-13(3)22-23-18/h5-8,10,12,14H,9,11,13H2,1-4H3;5-11H,12H2,1-4H3,(H2,22,23,24,25);3-8,12H,9-11H2,1-2H3;3-5,7-10H,6,11-12H2,1-2H3;3-7,9-10H,8,11-12H2,1-2H3;4-9H,10H2,1-3H3,(H2,20,21,22,23)
InChIKeyKHIORDWIMZCRJY-UHFFFAOYSA-N
MW2095.10 g/mol
LogP33.16
Rot. Bonds33

About N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole

N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole (PubChem CID 159134741) has the molecular formula C117H124Cl6N16O8 and a molecular weight of 2095.10 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole
PubChem CID159134741
Molecular FormulaC117H124Cl6N16O8
Molecular Weight2095.10 g/mol
Exact Mass2090.79
IUPAC NameN-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole
SMILESCC1=NN=C(CCc2c(Cl)cccc2Oc2cc(C)ccc2C(C)C)C1.CC1=NN=C(CCc2c(Cl)cccc2Oc2ccc(C)cc2)C1.COc1ccc(Oc2cccc(Cl)c2CCC2=NN=C(C)C2)cc1.COc1cccc(Oc2cccc(Cl)c2CCC2=NN=C(C)C2)c1.Cc1cc(C)cc(Oc2cccc(Cl)c2CNc2n[nH]c(C)n2)c1.Cc1nc(NCc2c(Cl)cccc2Oc2ccc(C(C)(C)C)cc2)n[nH]1
InChIInChI=1S/C22H25ClN2O.C20H23ClN4O.2C19H19ClN2O2.C19H19ClN2O.C18H19ClN4O/c1-14(2)18-10-8-15(3)12-22(18)26-21-7-5-6-20(23)19(21)11-9-17-13-16(4)24-25-17;1-13-23-19(25-24-13)22-12-16-17(21)6-5-7-18(16)26-15-10-8-14(9-11-15)20(2,3)4;1-13-11-14(22-21-13)9-10-17-18(20)7-4-8-19(17)24-16-6-3-5-15(12-16)23-2;1-13-12-14(22-21-13)6-11-17-18(20)4-3-5-19(17)24-16-9-7-15(23-2)8-10-16;1-13-6-9-16(10-7-13)23-19-5-3-4-18(20)17(19)11-8-15-12-14(2)21-22-15;1-11-7-12(2)9-14(8-11)24-17-6-4-5-16(19)15(17)10-20-18-21-13(3)22-23-18/h5-8,10,12,14H,9,11,13H2,1-4H3;5-11H,12H2,1-4H3,(H2,22,23,24,25);3-8,12H,9-11H2,1-2H3;3-5,7-10H,6,11-12H2,1-2H3;3-7,9-10H,8,11-12H2,1-2H3;4-9H,10H2,1-3H3,(H2,20,21,22,23)
InChIKeyKHIORDWIMZCRJY-UHFFFAOYSA-N
XLogP33.16
TPSA279.92 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002095.10
LogP ≤ 533.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole with MolForge

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Related Compounds

3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole
CID 157331520
N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine
CID 161196884
3-N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 118297736
3-N-[[2-chloro-6-(4-methylsulfanylphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 118297760
N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine
CID 43283090
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283118
3-[2-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]-3-chlorophenoxy]benzaldehyde
CID 163683627
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552561

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole?
The IUPAC name of N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole (CID 159134741) is N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole.
What is the SMILES notation for N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole?
The canonical SMILES for N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole is CC1=NN=C(CCc2c(Cl)cccc2Oc2cc(C)ccc2C(C)C)C1.CC1=NN=C(CCc2c(Cl)cccc2Oc2ccc(C)cc2)C1.COc1ccc(Oc2cccc(Cl)c2CCC2=NN=C(C)C2)cc1.COc1cccc(Oc2cccc(Cl)c2CCC2=NN=C(C)C2)c1.Cc1cc(C)cc(Oc2cccc(Cl)c2CNc2n[nH]c(C)n2)c1.Cc1nc(NCc2c(Cl)cccc2Oc2ccc(C(C)(C)C)cc2)n[nH]1.
What is the InChIKey of N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole?
The InChIKey is KHIORDWIMZCRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O.C20H23ClN4O.2C19H19ClN2O2.C19H19ClN2O.C18H19ClN4O/c1-14(2)18-10-8-15(3)12-22(18)26-21-7-5-6-20(23)19(21)11-9-17-13-16(4)24-25-17;1-13-23-19(25-24-13)22-12-16-17(21)6-5-7-18(16)26-15-10-8-14(9-11-15)20(2,3)4;1-13-11-14(22-21-13)9-10-17-18(20)7-4-8-19(17)24-16-6-3-5-15(12-16)23-2;1-13-12-14(22-21-13)6-11-17-18(20)4-3-5-19(17)24-16-9-7-15(23-2)8-10-16;1-13-6-9-16(10-7-13)23-19-5-3-4-18(20)17(19)11-8-15-12-14(2)21-22-15;1-11-7-12(2)9-14(8-11)24-17-6-4-5-16(19)15(17)10-20-18-21-13(3)22-23-18/h5-8,10,12,14H,9,11,13H2,1-4H3;5-11H,12H2,1-4H3,(H2,22,23,24,25);3-8,12H,9-11H2,1-2H3;3-5,7-10H,6,11-12H2,1-2H3;3-7,9-10H,8,11-12H2,1-2H3;4-9H,10H2,1-3H3,(H2,20,21,22,23).
What are the key properties of N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole?
N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole has a molecular weight of 2095.10 g/mol, XLogP of 33.16, 33 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenoxy)-6-chlorophenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;3-[2-[2-chloro-6-(3-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methoxyphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole;3-[2-[2-chloro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole is sourced from PubChem (CID 159134741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).