N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol

C67H95N15O6 — CID 158667566

IUPACN-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol
SMILESC=C1COc2ccc(-c3[nH]ncc3CN(C)CCN)cc2N1C.CCCN(C)Cc1cn[nH]c1-c1ccc(OCCCO)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OCCO)cc1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)NCC)c1
InChIInChI=1S/C17H23N5O.C17H24N4O.C17H25N3O2.C16H23N3O2/c1-12-11-23-16-5-4-13(8-15(16)22(12)3)17-14(9-19-20-17)10-21(2)7-6-18;1-4-9-21(3)12-15-11-19-20-16(15)13-7-6-8-14(10-13)17(22)18-5-2;1-3-9-20(2)13-15-12-18-19-17(15)14-5-7-16(8-6-14)22-11-4-10-21;1-3-8-19(2)12-14-11-17-18-16(14)13-4-6-15(7-5-13)21-10-9-20/h4-5,8-9H,1,6-7,10-11,18H2,2-3H3,(H,19,20);6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,22)(H,19,20);5-8,12,21H,3-4,9-11,13H2,1-2H3,(H,18,19);4-7,11,20H,3,8-10,12H2,1-2H3,(H,17,18)
InChIKeyIDNYTTSLNQJKRL-UHFFFAOYSA-N
MW1206.60 g/mol
LogP9.45
Rot. Bonds29

About N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol

N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol (PubChem CID 158667566) has the molecular formula C67H95N15O6 and a molecular weight of 1206.60 g/mol. Its IUPAC name is N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol.

Molecular Properties

Compound NameN-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol
PubChem CID158667566
Molecular FormulaC67H95N15O6
Molecular Weight1206.60 g/mol
Exact Mass1205.76
IUPAC NameN-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol
SMILESC=C1COc2ccc(-c3[nH]ncc3CN(C)CCN)cc2N1C.CCCN(C)Cc1cn[nH]c1-c1ccc(OCCCO)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OCCO)cc1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)NCC)c1
InChIInChI=1S/C17H23N5O.C17H24N4O.C17H25N3O2.C16H23N3O2/c1-12-11-23-16-5-4-13(8-15(16)22(12)3)17-14(9-19-20-17)10-21(2)7-6-18;1-4-9-21(3)12-15-11-19-20-16(15)13-7-6-8-14(10-13)17(22)18-5-2;1-3-9-20(2)13-15-12-18-19-17(15)14-5-7-16(8-6-14)22-11-4-10-21;1-3-8-19(2)12-14-11-17-18-16(14)13-4-6-15(7-5-13)21-10-9-20/h4-5,8-9H,1,6-7,10-11,18H2,2-3H3,(H,19,20);6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,22)(H,19,20);5-8,12,21H,3-4,9-11,13H2,1-2H3,(H,18,19);4-7,11,20H,3,8-10,12H2,1-2H3,(H,17,18)
InChIKeyIDNYTTSLNQJKRL-UHFFFAOYSA-N
XLogP9.45
TPSA254.19 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001206.60
LogP ≤ 59.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol with MolForge

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Related Compounds

3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-5-(trifluoromethyl)benzamide;N-[[5-[4-[3-(2-cyclohexylethoxy)cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[5-[4-(2-methylidenepyrrolidin-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 157177571
3-[4-[[2-aminoethyl(methyl)amino]methyl]-5-[2-[[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1-[1-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1-[3-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]pyrazol-3-yl]-2,6-dimethylphenoxy]ethyl]pyrazol-3-yl]benzoyl]-methylamino]ethyl]-1H-pyrazol-3-yl]-N-ethylbenzamide
CID 131966235
N'-methyl-N'-[[5-[2-methylidene-1-(2-methylpropyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol
CID 157821722
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone;1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]propan-1-one;N'-methyl-N'-[[5-[3-methylidene-4-(2-methylpropyl)-1,4-benzoxazin-6-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-7-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 160767186
7-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-4-(2-methylpropyl)-1,4-benzoxazin-3-one;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-7-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol
CID 161962105

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol?
The IUPAC name of N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol (CID 158667566) is N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol.
What is the SMILES notation for N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol?
The canonical SMILES for N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol is C=C1COc2ccc(-c3[nH]ncc3CN(C)CCN)cc2N1C.CCCN(C)Cc1cn[nH]c1-c1ccc(OCCCO)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OCCO)cc1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)NCC)c1.
What is the InChIKey of N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol?
The InChIKey is IDNYTTSLNQJKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.C17H24N4O.C17H25N3O2.C16H23N3O2/c1-12-11-23-16-5-4-13(8-15(16)22(12)3)17-14(9-19-20-17)10-21(2)7-6-18;1-4-9-21(3)12-15-11-19-20-16(15)13-7-6-8-14(10-13)17(22)18-5-2;1-3-9-20(2)13-15-12-18-19-17(15)14-5-7-16(8-6-14)22-11-4-10-21;1-3-8-19(2)12-14-11-17-18-16(14)13-4-6-15(7-5-13)21-10-9-20/h4-5,8-9H,1,6-7,10-11,18H2,2-3H3,(H,19,20);6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,22)(H,19,20);5-8,12,21H,3-4,9-11,13H2,1-2H3,(H,18,19);4-7,11,20H,3,8-10,12H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol?
N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol has a molecular weight of 1206.60 g/mol, XLogP of 9.45, 29 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N'-methyl-N'-[[5-(4-methyl-3-methylidene-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]ethanol;3-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]propan-1-ol is sourced from PubChem (CID 158667566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).