4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

C89H140N16O5 — CID 158508556

IUPAC4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.C.CCCCN(C)Cc1cc(C)nn1-c1ccc(OC(CC)CC)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCCC2)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(NC(C)c2ccncc2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOCC)c(OCC2CCOC2)c1
InChIInChI=1S/C24H37N3O4.C22H29N5.C21H33N3O.C19H29N5.3CH4/c1-4-6-10-27(3)16-21-15-25-26-24(21)20-7-8-22(30-13-12-28-5-2)23(14-20)31-18-19-9-11-29-17-19;1-4-5-14-27(3)16-20-15-24-26-22(20)19-6-8-21(9-7-19)25-17(2)18-10-12-23-13-11-18;1-6-9-14-23(5)16-19-15-17(4)22-24(19)18-10-12-21(13-11-18)25-20(7-2)8-3;1-3-4-10-23(2)15-17-14-21-22-19(17)16-8-9-18(20-13-16)24-11-6-5-7-12-24;;;/h7-8,14-15,19H,4-6,9-13,16-18H2,1-3H3,(H,25,26);6-13,15,17,25H,4-5,14,16H2,1-3H3,(H,24,26);10-13,15,20H,6-9,14,16H2,1-5H3;8-9,13-14H,3-7,10-12,15H2,1-2H3,(H,21,22);3*1H4
InChIKeyHKTMMYOPSJSOQU-UHFFFAOYSA-N
MW1514.21 g/mol
LogP19.60
Rot. Bonds40

About 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 158508556) has the molecular formula C89H140N16O5 and a molecular weight of 1514.21 g/mol. Its IUPAC name is 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID158508556
Molecular FormulaC89H140N16O5
Molecular Weight1514.21 g/mol
Exact Mass1513.12
IUPAC Name4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.C.CCCCN(C)Cc1cc(C)nn1-c1ccc(OC(CC)CC)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCCC2)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(NC(C)c2ccncc2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOCC)c(OCC2CCOC2)c1
InChIInChI=1S/C24H37N3O4.C22H29N5.C21H33N3O.C19H29N5.3CH4/c1-4-6-10-27(3)16-21-15-25-26-24(21)20-7-8-22(30-13-12-28-5-2)23(14-20)31-18-19-9-11-29-17-19;1-4-5-14-27(3)16-20-15-24-26-22(20)19-6-8-21(9-7-19)25-17(2)18-10-12-23-13-11-18;1-6-9-14-23(5)16-19-15-17(4)22-24(19)18-10-12-21(13-11-18)25-20(7-2)8-3;1-3-4-10-23(2)15-17-14-21-22-19(17)16-8-9-18(20-13-16)24-11-6-5-7-12-24;;;/h7-8,14-15,19H,4-6,9-13,16-18H2,1-3H3,(H,25,26);6-13,15,17,25H,4-5,14,16H2,1-3H3,(H,24,26);10-13,15,20H,6-9,14,16H2,1-5H3;8-9,13-14H,3-7,10-12,15H2,1-2H3,(H,21,22);3*1H4
InChIKeyHKTMMYOPSJSOQU-UHFFFAOYSA-N
XLogP19.60
TPSA204.02 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.21
LogP ≤ 519.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 158508556) is 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is C.C.C.CCCCN(C)Cc1cc(C)nn1-c1ccc(OC(CC)CC)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCCC2)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(NC(C)c2ccncc2)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOCC)c(OCC2CCOC2)c1.
What is the InChIKey of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is HKTMMYOPSJSOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4.C22H29N5.C21H33N3O.C19H29N5.3CH4/c1-4-6-10-27(3)16-21-15-25-26-24(21)20-7-8-22(30-13-12-28-5-2)23(14-20)31-18-19-9-11-29-17-19;1-4-5-14-27(3)16-20-15-24-26-22(20)19-6-8-21(9-7-19)25-17(2)18-10-12-23-13-11-18;1-6-9-14-23(5)16-19-15-17(4)22-24(19)18-10-12-21(13-11-18)25-20(7-2)8-3;1-3-4-10-23(2)15-17-14-21-22-19(17)16-8-9-18(20-13-16)24-11-6-5-7-12-24;;;/h7-8,14-15,19H,4-6,9-13,16-18H2,1-3H3,(H,25,26);6-13,15,17,25H,4-5,14,16H2,1-3H3,(H,24,26);10-13,15,20H,6-9,14,16H2,1-5H3;8-9,13-14H,3-7,10-12,15H2,1-2H3,(H,21,22);3*1H4.
What are the key properties of 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1514.21 g/mol, XLogP of 19.60, 40 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(1-pyridin-4-ylethyl)aniline;N-[[5-[4-(2-ethoxyethoxy)-3-(oxolan-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-methyl-2-(4-pentan-3-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 158508556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).