3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C90H117ClN14O6 — CID 158601061

IUPAC3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1cc(C)c(OC(C)C)c(Cl)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)N(C)C)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)NC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C24H30N4O2.C24H31N3O.C23H28N4O2.C19H28ClN3O/c1-5-6-14-28(4)17-20-16-25-26-23(20)18-10-12-21(13-11-18)30-22-9-7-8-19(15-22)24(29)27(2)3;1-5-6-14-27(4)17-21-16-25-26-24(21)19-10-12-22(13-11-19)28-23-9-7-8-20(15-23)18(2)3;1-4-5-13-27(3)16-19-15-25-26-22(19)17-9-11-20(12-10-17)29-21-8-6-7-18(14-21)23(28)24-2;1-6-7-8-23(5)12-16-11-21-22-18(16)15-9-14(4)19(17(20)10-15)24-13(2)3/h7-13,15-16H,5-6,14,17H2,1-4H3,(H,25,26);7-13,15-16,18H,5-6,14,17H2,1-4H3,(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26);9-11,13H,6-8,12H2,1-5H3,(H,21,22)
InChIKeyHVQJBFWALNLCHU-UHFFFAOYSA-N
MW1526.47 g/mol
LogP20.55
Rot. Bonds35

About 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 158601061) has the molecular formula C90H117ClN14O6 and a molecular weight of 1526.47 g/mol. Its IUPAC name is 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID158601061
Molecular FormulaC90H117ClN14O6
Molecular Weight1526.47 g/mol
Exact Mass1524.90
IUPAC Name3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1cc(C)c(OC(C)C)c(Cl)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)N(C)C)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)NC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C24H30N4O2.C24H31N3O.C23H28N4O2.C19H28ClN3O/c1-5-6-14-28(4)17-20-16-25-26-23(20)18-10-12-21(13-11-18)30-22-9-7-8-19(15-22)24(29)27(2)3;1-5-6-14-27(4)17-21-16-25-26-24(21)19-10-12-22(13-11-19)28-23-9-7-8-20(15-23)18(2)3;1-4-5-13-27(3)16-19-15-25-26-22(19)17-9-11-20(12-10-17)29-21-8-6-7-18(14-21)23(28)24-2;1-6-7-8-23(5)12-16-11-21-22-18(16)15-9-14(4)19(17(20)10-15)24-13(2)3/h7-13,15-16H,5-6,14,17H2,1-4H3,(H,25,26);7-13,15-16,18H,5-6,14,17H2,1-4H3,(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26);9-11,13H,6-8,12H2,1-5H3,(H,21,22)
InChIKeyHVQJBFWALNLCHU-UHFFFAOYSA-N
XLogP20.55
TPSA214.01 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001526.47
LogP ≤ 520.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 158601061) is 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1cc(C)c(OC(C)C)c(Cl)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)N(C)C)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(=O)NC)c2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2cccc(C(C)C)c2)cc1.
What is the InChIKey of 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is HVQJBFWALNLCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.C24H31N3O.C23H28N4O2.C19H28ClN3O/c1-5-6-14-28(4)17-20-16-25-26-23(20)18-10-12-21(13-11-18)30-22-9-7-8-19(15-22)24(29)27(2)3;1-5-6-14-27(4)17-21-16-25-26-24(21)19-10-12-22(13-11-19)28-23-9-7-8-20(15-23)18(2)3;1-4-5-13-27(3)16-19-15-25-26-22(19)17-9-11-20(12-10-17)29-21-8-6-7-18(14-21)23(28)24-2;1-6-7-8-23(5)12-16-11-21-22-18(16)15-9-14(4)19(17(20)10-15)24-13(2)3/h7-13,15-16H,5-6,14,17H2,1-4H3,(H,25,26);7-13,15-16,18H,5-6,14,17H2,1-4H3,(H,25,26);6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,28)(H,25,26);9-11,13H,6-8,12H2,1-5H3,(H,21,22).
What are the key properties of 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1526.47 g/mol, XLogP of 20.55, 35 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide;3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N-methylbenzamide;N-[[5-(3-chloro-5-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-(3-propan-2-ylphenoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 158601061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).