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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C77H109N29O2S — CID 158622239

IUPACN'-[[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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1cn[nH]c1-c1c(C)noc1C.CCCN(C)Cc1cn[nH]c1-c1ccn[nH]1.CCCN(C)Cc1cn[nH]c1-c1cn[nH]c1.CCCN(C)Cc1cn[nH]c1-c1cnc(OC)nc1.CN(CCN)Cc1cn[nH]c1-c1ccc2scnc2c1.CN(CCN)Cc1cn[nH]c1-c1cnc2c(c1)C=CC2
InChIInChI=1S/C15H19N5.C14H17N5S.C13H19N5O.C13H20N4O.2C11H17N5/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;1-3-6-16(2)8-9-7-13-15-11(9)10-4-5-12-14-10;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);4-5,7H,3,6,8H2,1-2H3,(H,12,14)(H,13,15);5-7H,3-4,8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHYDLZPGAKAQYBX-UHFFFAOYSA-N
MW1504.99 g/mol
LogP11.03
Rot. Bonds31

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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 158622239) has the molecular formula C77H109N29O2S and a molecular weight of 1504.99 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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN'-[[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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID158622239
Molecular FormulaC77H109N29O2S
Molecular Weight1504.99 g/mol
Exact Mass1503.90
IUPAC NameN'-[[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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1cn[nH]c1-c1c(C)noc1C.CCCN(C)Cc1cn[nH]c1-c1ccn[nH]1.CCCN(C)Cc1cn[nH]c1-c1cn[nH]c1.CCCN(C)Cc1cn[nH]c1-c1cnc(OC)nc1.CN(CCN)Cc1cn[nH]c1-c1ccc2scnc2c1.CN(CCN)Cc1cn[nH]c1-c1cnc2c(c1)C=CC2
InChIInChI=1S/C15H19N5.C14H17N5S.C13H19N5O.C13H20N4O.2C11H17N5/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;1-3-6-16(2)8-9-7-13-15-11(9)10-4-5-12-14-10;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);4-5,7H,3,6,8H2,1-2H3,(H,12,14)(H,13,15);5-7H,3-4,8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHYDLZPGAKAQYBX-UHFFFAOYSA-N
XLogP11.03
TPSA387.74 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001504.99
LogP ≤ 511.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze 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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-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-(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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 158622239) 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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCN(C)Cc1cn[nH]c1-c1c(C)noc1C.CCCN(C)Cc1cn[nH]c1-c1ccn[nH]1.CCCN(C)Cc1cn[nH]c1-c1cn[nH]c1.CCCN(C)Cc1cn[nH]c1-c1cnc(OC)nc1.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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is HYDLZPGAKAQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5.C14H17N5S.C13H19N5O.C13H20N4O.2C11H17N5/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;1-3-6-16(2)8-9-7-13-15-11(9)10-4-5-12-14-10;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);4-5,7H,3,6,8H2,1-2H3,(H,12,14)(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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1504.99 g/mol, XLogP of 11.03, 31 rotatable bonds, 10 hydrogen bond donors, and 24 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-(1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 158622239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).