N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C78H111N29O2S — CID 159415431

About N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine

N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 159415431) has the molecular formula C78H111N29O2S and a molecular weight of 1519.01 g/mol. Its IUPAC name is N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
• PubChem CID: 159415431
• Molecular Formula: C78H111N29O2S
• Molecular Weight: 1519.01 g/mol
• Exact Mass: 1517.92
• IUPAC Name: N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
• SMILES: CCCN(C)Cc1cn[nH]c1-c1c(C)noc1C.CCCN(C)Cc1cn[nH]c1-c1cn[nH]c1.CCCN(C)Cc1cn[nH]c1-c1cnc(OC)nc1.CCCN(C)Cc1cn[nH]c1-c1cnn(C)c1.CN(CCN)Cc1cn[nH]c1-c1ccc2scnc2c1.CN(CCN)Cc1cn[nH]c1-c1cnc2c(c1)C=CC2
• InChI: InChI=1S/C15H19N5.C14H17N5S.C13H19N5O.C13H20N4O.C12H19N5.C11H17N5/c1-20(6-5-16)10-13-9-18-19-15(13)12-7-11-3-2-4-14(11)17-8-12;1-19(5-4-15)8-11-7-17-18-14(11)10-2-3-13-12(6-10)16-9-20-13;1-4-5-18(2)9-11-8-16-17-12(11)10-6-14-13(19-3)15-7-10;1-5-6-17(4)8-11-7-14-15-13(11)12-9(2)16-18-10(12)3;1-4-5-16(2)8-10-6-13-15-12(10)11-7-14-17(3)9-11;1-3-4-16(2)8-10-7-14-15-11(10)9-5-12-13-6-9/h2-3,7-9H,4-6,10,16H2,1H3,(H,18,19);2-3,6-7,9H,4-5,8,15H2,1H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);7H,5-6,8H2,1-4H3,(H,14,15);6-7,9H,4-5,8H2,1-3H3,(H,13,15);5-7H,3-4,8H2,1-2H3,(H,12,13)(H,14,15)
• InChIKey: LPCIWIDPBULCAC-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 376.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1519.01
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine?

The IUPAC name of N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 159415431) is N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

What is the SMILES notation for N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine?

The canonical SMILES for N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCN(C)Cc1cn[nH]c1-c1c(C)noc1C.CCCN(C)Cc1cn[nH]c1-c1cn[nH]c1.CCCN(C)Cc1cn[nH]c1-c1cnc(OC)nc1.CCCN(C)Cc1cn[nH]c1-c1cnn(C)c1.CN(CCN)Cc1cn[nH]c1-c1ccc2scnc2c1.CN(CCN)Cc1cn[nH]c1-c1cnc2c(c1)C=CC2.

What is the InChIKey of N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine?

The InChIKey is LPCIWIDPBULCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5.C14H17N5S.C13H19N5O.C13H20N4O.C12H19N5.C11H17N5/c1-20(6-5-16)10-13-9-18-19-15(13)12-7-11-3-2-4-14(11)17-8-12;1-19(5-4-15)8-11-7-17-18-14(11)10-2-3-13-12(6-10)16-9-20-13;1-4-5-18(2)9-11-8-16-17-12(11)10-6-14-13(19-3)15-7-10;1-5-6-17(4)8-11-7-14-15-13(11)12-9(2)16-18-10(12)3;1-4-5-16(2)8-10-6-13-15-12(10)11-7-14-17(3)9-11;1-3-4-16(2)8-10-7-14-15-11(10)9-5-12-13-6-9/h2-3,7-9H,4-6,10,16H2,1H3,(H,18,19);2-3,6-7,9H,4-5,8,15H2,1H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);7H,5-6,8H2,1-4H3,(H,14,15);6-7,9H,4-5,8H2,1-3H3,(H,13,15);5-7H,3-4,8H2,1-2H3,(H,12,13)(H,14,15).

What are the key properties of N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine?

N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1519.01 g/mol, XLogP of 11.04, 31 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[5-(1,3-benzothiazol-5-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[5-(7H-cyclopenta[b]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-methoxypyrimidin-5-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 159415431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).