N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

C82H122N14O6 — CID 161132216

IUPACN-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(C(C)(C)COC)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(COC)C(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(COC)CC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccncn2)cc1
InChIInChI=1S/C22H35N3O2.C21H33N3O2.C20H31N3O.C19H23N5O/c1-6-7-12-25(4)15-19-14-23-24-22(19)18-8-10-20(11-9-18)27-21(16-26-5)13-17(2)3;1-6-7-12-24(4)14-18-13-22-23-21(18)17-8-10-19(11-9-17)26-20(15-25-5)16(2)3;1-6-7-12-23(4)14-17-13-21-22-19(17)16-8-10-18(11-9-16)20(2,3)15-24-5;1-3-4-11-24(2)13-16-12-22-23-19(16)15-5-7-17(8-6-15)25-18-9-10-20-14-21-18/h8-11,14,17,21H,6-7,12-13,15-16H2,1-5H3,(H,23,24);8-11,13,16,20H,6-7,12,14-15H2,1-5H3,(H,22,23);8-11,13H,6-7,12,14-15H2,1-5H3,(H,21,22);5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,23)
InChIKeyUMINUQZBSZGUCF-UHFFFAOYSA-N
MW1399.97 g/mol
LogP17.23
Rot. Bonds40

About N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 161132216) has the molecular formula C82H122N14O6 and a molecular weight of 1399.97 g/mol. Its IUPAC name is N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID161132216
Molecular FormulaC82H122N14O6
Molecular Weight1399.97 g/mol
Exact Mass1398.97
IUPAC NameN-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(C(C)(C)COC)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(COC)C(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(COC)CC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccncn2)cc1
InChIInChI=1S/C22H35N3O2.C21H33N3O2.C20H31N3O.C19H23N5O/c1-6-7-12-25(4)15-19-14-23-24-22(19)18-8-10-20(11-9-18)27-21(16-26-5)13-17(2)3;1-6-7-12-24(4)14-18-13-22-23-21(18)17-8-10-19(11-9-17)26-20(15-25-5)16(2)3;1-6-7-12-23(4)14-17-13-21-22-19(17)16-8-10-18(11-9-16)20(2,3)15-24-5;1-3-4-11-24(2)13-16-12-22-23-19(16)15-5-7-17(8-6-15)25-18-9-10-20-14-21-18/h8-11,14,17,21H,6-7,12-13,15-16H2,1-5H3,(H,23,24);8-11,13,16,20H,6-7,12,14-15H2,1-5H3,(H,22,23);8-11,13H,6-7,12,14-15H2,1-5H3,(H,21,22);5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,23)
InChIKeyUMINUQZBSZGUCF-UHFFFAOYSA-N
XLogP17.23
TPSA208.84 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001399.97
LogP ≤ 517.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 161132216) is N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1ccc(C(C)(C)COC)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(COC)C(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(COC)CC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccncn2)cc1.
What is the InChIKey of N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is UMINUQZBSZGUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.C21H33N3O2.C20H31N3O.C19H23N5O/c1-6-7-12-25(4)15-19-14-23-24-22(19)18-8-10-20(11-9-18)27-21(16-26-5)13-17(2)3;1-6-7-12-24(4)14-18-13-22-23-21(18)17-8-10-19(11-9-17)26-20(15-25-5)16(2)3;1-6-7-12-23(4)14-17-13-21-22-19(17)16-8-10-18(11-9-16)20(2,3)15-24-5;1-3-4-11-24(2)13-16-12-22-23-19(16)15-5-7-17(8-6-15)25-18-9-10-20-14-21-18/h8-11,14,17,21H,6-7,12-13,15-16H2,1-5H3,(H,23,24);8-11,13,16,20H,6-7,12,14-15H2,1-5H3,(H,22,23);8-11,13H,6-7,12,14-15H2,1-5H3,(H,21,22);5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,23).
What are the key properties of N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1399.97 g/mol, XLogP of 17.23, 40 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(1-methoxy-3-methylbutan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-4-methylpentan-2-yl)oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(4-pyrimidin-4-yloxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 161132216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).