3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide

C213H235N41O19 — CID 157066185

IUPAC3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1ccc(CO)c(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.CCOc1ccc2ccccc2c1CCc1n[nH]c(Cc2cccnc2)c1C(N)=O.CN(C)c1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c2ccccc12.COc1c(C)ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1CO.COc1cc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c(CO)cc1C.COc1cccc(CO)c1CCc1n[nH]c(Cc2cccnc2)c1C(N)=O.Cc1cc(C)c(C)c(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.Cc1cc(C)c(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1C.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c(C)c1.Cc1cccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1O
InChIInChI=1S/C24H25N5O.C24H24N4O2.C22H26N4O2.2C21H24N4O3.2C21H24N4O.C20H22N4O3.C20H22N4O.C19H20N4O2/c1-29(2)22-12-10-17(18-7-3-4-8-19(18)22)9-11-20-23(24(25)30)21(28-27-20)14-16-6-5-13-26-15-16;1-2-30-22-12-9-17-7-3-4-8-18(17)19(22)10-11-20-23(24(25)29)21(28-27-20)14-16-6-5-13-26-15-16;1-14(2)16-5-6-18(13-27)17(11-16)7-8-19-21(22(23)28)20(26-25-19)10-15-4-3-9-24-12-15;1-13-5-6-15(16(12-26)20(13)28-2)7-8-17-19(21(22)27)18(25-24-17)10-14-4-3-9-23-11-14;1-13-8-16(12-26)15(10-19(13)28-2)5-6-17-20(21(22)27)18(25-24-17)9-14-4-3-7-23-11-14;1-13-9-15(3)17(10-14(13)2)6-7-18-20(21(22)26)19(25-24-18)11-16-5-4-8-23-12-16;1-13-9-14(2)15(3)17(10-13)6-7-18-20(21(22)26)19(25-24-18)11-16-5-4-8-23-12-16;1-27-18-6-2-5-14(12-25)15(18)7-8-16-19(20(21)26)17(24-23-16)10-13-4-3-9-22-11-13;1-13-5-6-16(14(2)10-13)7-8-17-19(20(21)25)18(24-23-17)11-15-4-3-9-22-12-15;1-12-4-2-6-14(18(12)24)7-8-15-17(19(20)25)16(23-22-15)10-13-5-3-9-21-11-13/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H2,25,30)(H,27,28);3-9,12-13,15H,2,10-11,14H2,1H3,(H2,25,29)(H,27,28);3-6,9,11-12,14,27H,7-8,10,13H2,1-2H3,(H2,23,28)(H,25,26);3-6,9,11,26H,7-8,10,12H2,1-2H3,(H2,22,27)(H,24,25);3-4,7-8,10-11,26H,5-6,9,12H2,1-2H3,(H2,22,27)(H,24,25);2*4-5,8-10,12H,6-7,11H2,1-3H3,(H2,22,26)(H,24,25);2-6,9,11,25H,7-8,10,12H2,1H3,(H2,21,26)(H,23,24);3-6,9-10,12H,7-8,11H2,1-2H3,(H2,21,25)(H,23,24);2-6,9,11,24H,7-8,10H2,1H3,(H2,20,25)(H,22,23)
InChIKeyABXAUHYEBNZBDG-UHFFFAOYSA-N
MW3673.49 g/mol
LogP27.78
Rot. Bonds71

About 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide

3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 157066185) has the molecular formula C213H235N41O19 and a molecular weight of 3673.49 g/mol. Its IUPAC name is 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID157066185
Molecular FormulaC213H235N41O19
Molecular Weight3673.49 g/mol
Exact Mass3670.87
IUPAC Name3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1ccc(CO)c(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.CCOc1ccc2ccccc2c1CCc1n[nH]c(Cc2cccnc2)c1C(N)=O.CN(C)c1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c2ccccc12.COc1c(C)ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1CO.COc1cc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c(CO)cc1C.COc1cccc(CO)c1CCc1n[nH]c(Cc2cccnc2)c1C(N)=O.Cc1cc(C)c(C)c(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.Cc1cc(C)c(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1C.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c(C)c1.Cc1cccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1O
InChIInChI=1S/C24H25N5O.C24H24N4O2.C22H26N4O2.2C21H24N4O3.2C21H24N4O.C20H22N4O3.C20H22N4O.C19H20N4O2/c1-29(2)22-12-10-17(18-7-3-4-8-19(18)22)9-11-20-23(24(25)30)21(28-27-20)14-16-6-5-13-26-15-16;1-2-30-22-12-9-17-7-3-4-8-18(17)19(22)10-11-20-23(24(25)29)21(28-27-20)14-16-6-5-13-26-15-16;1-14(2)16-5-6-18(13-27)17(11-16)7-8-19-21(22(23)28)20(26-25-19)10-15-4-3-9-24-12-15;1-13-5-6-15(16(12-26)20(13)28-2)7-8-17-19(21(22)27)18(25-24-17)10-14-4-3-9-23-11-14;1-13-8-16(12-26)15(10-19(13)28-2)5-6-17-20(21(22)27)18(25-24-17)9-14-4-3-7-23-11-14;1-13-9-15(3)17(10-14(13)2)6-7-18-20(21(22)26)19(25-24-18)11-16-5-4-8-23-12-16;1-13-9-14(2)15(3)17(10-13)6-7-18-20(21(22)26)19(25-24-18)11-16-5-4-8-23-12-16;1-27-18-6-2-5-14(12-25)15(18)7-8-16-19(20(21)26)17(24-23-16)10-13-4-3-9-22-11-13;1-13-5-6-16(14(2)10-13)7-8-17-19(20(21)25)18(24-23-17)11-15-4-3-9-22-12-15;1-12-4-2-6-14(18(12)24)7-8-15-17(19(20)25)16(23-22-15)10-13-5-3-9-21-11-13/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H2,25,30)(H,27,28);3-9,12-13,15H,2,10-11,14H2,1H3,(H2,25,29)(H,27,28);3-6,9,11-12,14,27H,7-8,10,13H2,1-2H3,(H2,23,28)(H,25,26);3-6,9,11,26H,7-8,10,12H2,1-2H3,(H2,22,27)(H,24,25);3-4,7-8,10-11,26H,5-6,9,12H2,1-2H3,(H2,22,27)(H,24,25);2*4-5,8-10,12H,6-7,11H2,1-3H3,(H2,22,26)(H,24,25);2-6,9,11,25H,7-8,10,12H2,1H3,(H2,21,26)(H,23,24);3-6,9-10,12H,7-8,11H2,1-2H3,(H2,21,25)(H,23,24);2-6,9,11,24H,7-8,10H2,1H3,(H2,20,25)(H,22,23)
InChIKeyABXAUHYEBNZBDG-UHFFFAOYSA-N
XLogP27.78
TPSA987.91 Ų
H-Bond Donors25
H-Bond Acceptors40
Rotatable Bonds71
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003673.49
LogP ≤ 527.78
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1040

Analyze 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 157066185) is 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide is CC(C)c1ccc(CO)c(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.CCOc1ccc2ccccc2c1CCc1n[nH]c(Cc2cccnc2)c1C(N)=O.CN(C)c1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c2ccccc12.COc1c(C)ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1CO.COc1cc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c(CO)cc1C.COc1cccc(CO)c1CCc1n[nH]c(Cc2cccnc2)c1C(N)=O.Cc1cc(C)c(C)c(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.Cc1cc(C)c(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1C.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c(C)c1.Cc1cccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1O.
What is the InChIKey of 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ABXAUHYEBNZBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.C24H24N4O2.C22H26N4O2.2C21H24N4O3.2C21H24N4O.C20H22N4O3.C20H22N4O.C19H20N4O2/c1-29(2)22-12-10-17(18-7-3-4-8-19(18)22)9-11-20-23(24(25)30)21(28-27-20)14-16-6-5-13-26-15-16;1-2-30-22-12-9-17-7-3-4-8-18(17)19(22)10-11-20-23(24(25)29)21(28-27-20)14-16-6-5-13-26-15-16;1-14(2)16-5-6-18(13-27)17(11-16)7-8-19-21(22(23)28)20(26-25-19)10-15-4-3-9-24-12-15;1-13-5-6-15(16(12-26)20(13)28-2)7-8-17-19(21(22)27)18(25-24-17)10-14-4-3-9-23-11-14;1-13-8-16(12-26)15(10-19(13)28-2)5-6-17-20(21(22)27)18(25-24-17)9-14-4-3-7-23-11-14;1-13-9-15(3)17(10-14(13)2)6-7-18-20(21(22)26)19(25-24-18)11-16-5-4-8-23-12-16;1-13-9-14(2)15(3)17(10-13)6-7-18-20(21(22)26)19(25-24-18)11-16-5-4-8-23-12-16;1-27-18-6-2-5-14(12-25)15(18)7-8-16-19(20(21)26)17(24-23-16)10-13-4-3-9-22-11-13;1-13-5-6-16(14(2)10-13)7-8-17-19(20(21)25)18(24-23-17)11-15-4-3-9-22-12-15;1-12-4-2-6-14(18(12)24)7-8-15-17(19(20)25)16(23-22-15)10-13-5-3-9-21-11-13/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H2,25,30)(H,27,28);3-9,12-13,15H,2,10-11,14H2,1H3,(H2,25,29)(H,27,28);3-6,9,11-12,14,27H,7-8,10,13H2,1-2H3,(H2,23,28)(H,25,26);3-6,9,11,26H,7-8,10,12H2,1-2H3,(H2,22,27)(H,24,25);3-4,7-8,10-11,26H,5-6,9,12H2,1-2H3,(H2,22,27)(H,24,25);2*4-5,8-10,12H,6-7,11H2,1-3H3,(H2,22,26)(H,24,25);2-6,9,11,25H,7-8,10,12H2,1H3,(H2,21,26)(H,23,24);3-6,9-10,12H,7-8,11H2,1-2H3,(H2,21,25)(H,23,24);2-6,9,11,24H,7-8,10H2,1H3,(H2,20,25)(H,22,23).
What are the key properties of 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 3673.49 g/mol, XLogP of 27.78, 71 rotatable bonds, 25 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2,4-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-ethoxynaphthalen-1-yl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-methoxy-4-methylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-6-methoxyphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-(2-hydroxy-3-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,3,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-(pyridin-3-ylmethyl)-3-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 157066185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).