N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C85H122ClN23O2 — CID 159005214

IUPACN-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N(C)Cc2ccccc2)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCOCC2)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1cncc(Cl)c1
InChIInChI=1S/C21H27N5.C18H29N5.C17H25N5O.C16H24N4O.C13H17ClN4/c1-4-12-25(2)16-19-14-23-24-21(19)18-10-11-20(22-13-18)26(3)15-17-8-6-5-7-9-17;1-6-9-22(4)13-16-11-20-21-18(16)15-7-8-17(19-10-15)23(5)12-14(2)3;1-3-6-21(2)13-15-12-19-20-17(15)14-4-5-16(18-11-14)22-7-9-23-10-8-22;1-5-8-20(4)11-14-10-18-19-16(14)13-6-7-15(17-9-13)21-12(2)3;1-3-4-18(2)9-11-7-16-17-13(11)10-5-12(14)8-15-6-10/h5-11,13-14H,4,12,15-16H2,1-3H3,(H,23,24);7-8,10-11,14H,6,9,12-13H2,1-5H3,(H,20,21);4-5,11-12H,3,6-10,13H2,1-2H3,(H,19,20);6-7,9-10,12H,5,8,11H2,1-4H3,(H,18,19);5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyJRVJAXDSNFEBMQ-UHFFFAOYSA-N
MW1533.52 g/mol
LogP15.57
Rot. Bonds34

About N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 159005214) has the molecular formula C85H122ClN23O2 and a molecular weight of 1533.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID159005214
Molecular FormulaC85H122ClN23O2
Molecular Weight1533.52 g/mol
Exact Mass1531.98
IUPAC NameN-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N(C)Cc2ccccc2)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCOCC2)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1cncc(Cl)c1
InChIInChI=1S/C21H27N5.C18H29N5.C17H25N5O.C16H24N4O.C13H17ClN4/c1-4-12-25(2)16-19-14-23-24-21(19)18-10-11-20(22-13-18)26(3)15-17-8-6-5-7-9-17;1-6-9-22(4)13-16-11-20-21-18(16)15-7-8-17(19-10-15)23(5)12-14(2)3;1-3-6-21(2)13-15-12-19-20-17(15)14-4-5-16(18-11-14)22-7-9-23-10-8-22;1-5-8-20(4)11-14-10-18-19-16(14)13-6-7-15(17-9-13)21-12(2)3;1-3-4-18(2)9-11-7-16-17-13(11)10-5-12(14)8-15-6-10/h5-11,13-14H,4,12,15-16H2,1-3H3,(H,23,24);7-8,10-11,14H,6,9,12-13H2,1-5H3,(H,20,21);4-5,11-12H,3,6-10,13H2,1-2H3,(H,19,20);6-7,9-10,12H,5,8,11H2,1-4H3,(H,18,19);5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyJRVJAXDSNFEBMQ-UHFFFAOYSA-N
XLogP15.57
TPSA252.23 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms111
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.52
LogP ≤ 515.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 159005214) is N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N(C)Cc2ccccc2)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCOCC2)nc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1cncc(Cl)c1.
What is the InChIKey of N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is JRVJAXDSNFEBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5.C18H29N5.C17H25N5O.C16H24N4O.C13H17ClN4/c1-4-12-25(2)16-19-14-23-24-21(19)18-10-11-20(22-13-18)26(3)15-17-8-6-5-7-9-17;1-6-9-22(4)13-16-11-20-21-18(16)15-7-8-17(19-10-15)23(5)12-14(2)3;1-3-6-21(2)13-15-12-19-20-17(15)14-4-5-16(18-11-14)22-7-9-23-10-8-22;1-5-8-20(4)11-14-10-18-19-16(14)13-6-7-15(17-9-13)21-12(2)3;1-3-4-18(2)9-11-7-16-17-13(11)10-5-12(14)8-15-6-10/h5-11,13-14H,4,12,15-16H2,1-3H3,(H,23,24);7-8,10-11,14H,6,9,12-13H2,1-5H3,(H,20,21);4-5,11-12H,3,6-10,13H2,1-2H3,(H,19,20);6-7,9-10,12H,5,8,11H2,1-4H3,(H,18,19);5-8H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1533.52 g/mol, XLogP of 15.57, 34 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-(2-methylpropyl)-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridin-2-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 159005214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).