N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C75H104ClN13O4 — CID 158703074

IUPACN-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1cc(C)c(OC(C)C)c(C)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)N(C)CC)c1
InChIInChI=1S/C20H23N3O.C19H29N3O.C18H26ClN3O.C18H26N4O/c1-3-13-23(2)15-17-14-21-22-20(17)16-9-11-19(12-10-16)24-18-7-5-4-6-8-18;1-7-8-22(6)12-17-11-20-21-18(17)16-9-14(4)19(15(5)10-16)23-13(2)3;1-5-6-9-22(4)12-15-11-20-21-18(15)14-7-8-17(16(19)10-14)23-13(2)3;1-5-10-21(3)13-16-12-19-20-17(16)14-8-7-9-15(11-14)18(23)22(4)6-2/h4-12,14H,3,13,15H2,1-2H3,(H,21,22);9-11,13H,7-8,12H2,1-6H3,(H,20,21);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,21);7-9,11-12H,5-6,10,13H2,1-4H3,(H,19,20)
InChIKeyIHUCBJDDHUXOFX-UHFFFAOYSA-N
MW1287.20 g/mol
LogP16.79
Rot. Bonds29

About N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 158703074) has the molecular formula C75H104ClN13O4 and a molecular weight of 1287.20 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID158703074
Molecular FormulaC75H104ClN13O4
Molecular Weight1287.20 g/mol
Exact Mass1285.80
IUPAC NameN-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1cc(C)c(OC(C)C)c(C)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)N(C)CC)c1
InChIInChI=1S/C20H23N3O.C19H29N3O.C18H26ClN3O.C18H26N4O/c1-3-13-23(2)15-17-14-21-22-20(17)16-9-11-19(12-10-16)24-18-7-5-4-6-8-18;1-7-8-22(6)12-17-11-20-21-18(17)16-9-14(4)19(15(5)10-16)23-13(2)3;1-5-6-9-22(4)12-15-11-20-21-18(15)14-7-8-17(16(19)10-14)23-13(2)3;1-5-10-21(3)13-16-12-19-20-17(16)14-8-7-9-15(11-14)18(23)22(4)6-2/h4-12,14H,3,13,15H2,1-2H3,(H,21,22);9-11,13H,7-8,12H2,1-6H3,(H,20,21);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,21);7-9,11-12H,5-6,10,13H2,1-4H3,(H,19,20)
InChIKeyIHUCBJDDHUXOFX-UHFFFAOYSA-N
XLogP16.79
TPSA175.68 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.20
LogP ≤ 516.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 158703074) is N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1cc(C)c(OC(C)C)c(C)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)N(C)CC)c1.
What is the InChIKey of N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is IHUCBJDDHUXOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.C19H29N3O.C18H26ClN3O.C18H26N4O/c1-3-13-23(2)15-17-14-21-22-20(17)16-9-11-19(12-10-16)24-18-7-5-4-6-8-18;1-7-8-22(6)12-17-11-20-21-18(17)16-9-14(4)19(15(5)10-16)23-13(2)3;1-5-6-9-22(4)12-15-11-20-21-18(15)14-7-8-17(16(19)10-14)23-13(2)3;1-5-10-21(3)13-16-12-19-20-17(16)14-8-7-9-15(11-14)18(23)22(4)6-2/h4-12,14H,3,13,15H2,1-2H3,(H,21,22);9-11,13H,7-8,12H2,1-6H3,(H,20,21);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,21);7-9,11-12H,5-6,10,13H2,1-4H3,(H,19,20).
What are the key properties of N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1287.20 g/mol, XLogP of 16.79, 29 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 158703074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).