5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine

C93H147F3N24 — CID 161339007

IUPAC5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)C(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CC(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CCC(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(CC(C)C)CC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1cnccc1C(F)(F)F
InChIInChI=1S/C22H37N5.C20H33N5.C19H31N5.C18H29N5.C14H17F3N4/c1-7-8-11-26(6)16-20-13-24-25-22(20)19-9-10-21(23-12-19)27(14-17(2)3)15-18(4)5;1-6-7-11-24(4)15-18-14-22-23-20(18)17-8-9-19(21-13-17)25(5)12-10-16(2)3;1-6-7-10-23(4)14-17-12-21-22-19(17)16-8-9-18(20-11-16)24(5)13-15(2)3;1-6-7-10-22(4)13-16-12-20-21-18(16)15-8-9-17(19-11-15)23(5)14(2)3;1-3-6-21(2)9-10-7-19-20-13(10)11-8-18-5-4-12(11)14(15,16)17/h9-10,12-13,17-18H,7-8,11,14-16H2,1-6H3,(H,24,25);8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H,22,23);8-9,11-12,15H,6-7,10,13-14H2,1-5H3,(H,21,22);8-9,11-12,14H,6-7,10,13H2,1-5H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,19,20)
InChIKeyVMKOSSRBEZNKGZ-UHFFFAOYSA-N
MW1658.36 g/mol
LogP19.68
Rot. Bonds43

About 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine

5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 161339007) has the molecular formula C93H147F3N24 and a molecular weight of 1658.36 g/mol. Its IUPAC name is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID161339007
Molecular FormulaC93H147F3N24
Molecular Weight1658.36 g/mol
Exact Mass1657.22
IUPAC Name5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)C(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CC(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CCC(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(CC(C)C)CC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1cnccc1C(F)(F)F
InChIInChI=1S/C22H37N5.C20H33N5.C19H31N5.C18H29N5.C14H17F3N4/c1-7-8-11-26(6)16-20-13-24-25-22(20)19-9-10-21(23-12-19)27(14-17(2)3)15-18(4)5;1-6-7-11-24(4)15-18-14-22-23-20(18)17-8-9-19(21-13-17)25(5)12-10-16(2)3;1-6-7-10-23(4)14-17-12-21-22-19(17)16-8-9-18(20-11-16)24(5)13-15(2)3;1-6-7-10-22(4)13-16-12-20-21-18(16)15-8-9-17(19-11-15)23(5)14(2)3;1-3-6-21(2)9-10-7-19-20-13(10)11-8-18-5-4-12(11)14(15,16)17/h9-10,12-13,17-18H,7-8,11,14-16H2,1-6H3,(H,24,25);8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H,22,23);8-9,11-12,15H,6-7,10,13-14H2,1-5H3,(H,21,22);8-9,11-12,14H,6-7,10,13H2,1-5H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,19,20)
InChIKeyVMKOSSRBEZNKGZ-UHFFFAOYSA-N
XLogP19.68
TPSA237.01 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds43
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001658.36
LogP ≤ 519.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-Methyl-4-[4-[3-(2-pyridinyl)-1H-pyrazol-4-yl][2,3'-bipyridin]-6'-yl]piperazine
CID 56667031
2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 24866126
N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine
CID 24866306
(2R)-2-methyl-4-[[5-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 57999550
N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine
CID 57999589
N'-[5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-yl]ethane-1,2-diamine
CID 57999608
5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 57999615
4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine
CID 58486586
5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 68972898
N'-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]ethane-1,2-diamine
CID 69027707
4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70961489
(3R)-3-methyl-4-[4-piperidin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118869516

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 161339007) is 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)C(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CC(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)CCC(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N(CC(C)C)CC(C)C)nc1.CCCN(C)Cc1cn[nH]c1-c1cnccc1C(F)(F)F.
What is the InChIKey of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is VMKOSSRBEZNKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5.C20H33N5.C19H31N5.C18H29N5.C14H17F3N4/c1-7-8-11-26(6)16-20-13-24-25-22(20)19-9-10-21(23-12-19)27(14-17(2)3)15-18(4)5;1-6-7-11-24(4)15-18-14-22-23-20(18)17-8-9-19(21-13-17)25(5)12-10-16(2)3;1-6-7-10-23(4)14-17-12-21-22-19(17)16-8-9-18(20-11-16)24(5)13-15(2)3;1-6-7-10-22(4)13-16-12-20-21-18(16)15-8-9-17(19-11-15)23(5)14(2)3;1-3-6-21(2)9-10-7-19-20-13(10)11-8-18-5-4-12(11)14(15,16)17/h9-10,12-13,17-18H,7-8,11,14-16H2,1-6H3,(H,24,25);8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H,22,23);8-9,11-12,15H,6-7,10,13-14H2,1-5H3,(H,21,22);8-9,11-12,14H,6-7,10,13H2,1-5H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,19,20).
What are the key properties of 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?
5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1658.36 g/mol, XLogP of 19.68, 43 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N,N-bis(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(3-methylbutyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine;5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-methyl-N-propan-2-ylpyridin-2-amine;N-methyl-N-[[5-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 161339007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).