N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile

C107H141Cl2F5N22O4 — CID 160605164

IUPACN-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
SMILESCCCN(C)Cc1cn[nH]c1-c1cc(C#N)ccc1C.CCCN(C)Cc1cn[nH]c1-c1cc(Cl)ccc1F.CCCN(C)Cc1cn[nH]c1-c1cc(Cl)ccc1OC.CCCN(C)Cc1cn[nH]c1-c1cc(F)ccc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O.C16H20N4.C16H23N3O.C15H20ClN3O.C15H20FN3.C15H21N3O.C14H17ClFN3/c1-4-7-22(2)10-11-9-20-21-15(11)13-6-5-12(23-3)8-14(13)16(17,18)19;1-4-7-20(3)11-14-10-18-19-16(14)15-8-13(9-17)6-5-12(15)2;1-5-8-19(3)11-13-10-17-18-16(13)15-7-6-14(20-4)9-12(15)2;1-4-7-19(2)10-11-9-17-18-15(11)13-8-12(16)5-6-14(13)20-3;1-4-7-19(3)10-12-9-17-18-15(12)14-8-13(16)6-5-11(14)2;1-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19-3)8-6-12;1-3-6-19(2)9-10-8-17-18-14(10)12-7-11(15)4-5-13(12)16/h5-6,8-9H,4,7,10H2,1-3H3,(H,20,21);5-6,8,10H,4,7,11H2,1-3H3,(H,18,19);6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);5-8,10H,4,9,11H2,1-3H3,(H,16,17);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyRETWSEBOGIMAJB-UHFFFAOYSA-N
MW1965.35 g/mol
LogP23.86
Rot. Bonds39

About N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile

N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile (PubChem CID 160605164) has the molecular formula C107H141Cl2F5N22O4 and a molecular weight of 1965.35 g/mol. Its IUPAC name is N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile.

Molecular Properties

Compound NameN-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
PubChem CID160605164
Molecular FormulaC107H141Cl2F5N22O4
Molecular Weight1965.35 g/mol
Exact Mass1963.08
IUPAC NameN-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
SMILESCCCN(C)Cc1cn[nH]c1-c1cc(C#N)ccc1C.CCCN(C)Cc1cn[nH]c1-c1cc(Cl)ccc1F.CCCN(C)Cc1cn[nH]c1-c1cc(Cl)ccc1OC.CCCN(C)Cc1cn[nH]c1-c1cc(F)ccc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O.C16H20N4.C16H23N3O.C15H20ClN3O.C15H20FN3.C15H21N3O.C14H17ClFN3/c1-4-7-22(2)10-11-9-20-21-15(11)13-6-5-12(23-3)8-14(13)16(17,18)19;1-4-7-20(3)11-14-10-18-19-16(14)15-8-13(9-17)6-5-12(15)2;1-5-8-19(3)11-13-10-17-18-16(13)15-7-6-14(20-4)9-12(15)2;1-4-7-19(2)10-11-9-17-18-15(11)13-8-12(16)5-6-14(13)20-3;1-4-7-19(3)10-12-9-17-18-15(12)14-8-13(16)6-5-11(14)2;1-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19-3)8-6-12;1-3-6-19(2)9-10-8-17-18-14(10)12-7-11(15)4-5-13(12)16/h5-6,8-9H,4,7,10H2,1-3H3,(H,20,21);5-6,8,10H,4,7,11H2,1-3H3,(H,18,19);6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);5-8,10H,4,9,11H2,1-3H3,(H,16,17);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyRETWSEBOGIMAJB-UHFFFAOYSA-N
XLogP23.86
TPSA284.15 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds39
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001965.35
LogP ≤ 523.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile with MolForge

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Related Compounds

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 157243717
2-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-3-fluoro-4-(3-methoxypropoxy)-6-(trifluoromethyl)benzonitrile;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methoxypropoxy)-2-methylphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[2-fluoro-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-fluoro-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;methane;N-methyl-N-[[4-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 157319567
N-[[5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 157368603
N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 157410721
N-[[5-[2-chloro-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-fluoro-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 158547568
N-[[5-(2-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 158628787
N-[[5-(2-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(4-cyclopropylphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine;N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 158716302
N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
CID 158780989
N-[[5-[3-(1,1-difluoroethyl)-5-(3-methoxypropoxy)-2-methylphenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-fluoro-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-[4-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[4-[2-methyl-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine;N-methyl-N-[[4-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 159024865
2-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-3-fluoro-4-(3-methoxypropoxy)-6-(trifluoromethyl)benzonitrile;N-[[4-[2-chloro-3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[4-[2-methyl-3-(2-methylpropoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine;N-methyl-N-[[4-[2-(2-methylpropyl)-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine
CID 159230450
2-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-3-fluoro-4-(3-methoxypropoxy)-6-(trifluoromethyl)benzonitrile;N-[[4-[2-chloro-3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[4-[2-methyl-3-(2-methylpropoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine;N-methyl-N-[[4-[2-(2-methylpropyl)-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine
CID 159296607
N-[[4-[2-chloro-3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[4-[2-methyl-3-(2-methylpropoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine;N-methyl-N-[[4-[2-(2-methylpropyl)-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine
CID 159503521

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile?
The IUPAC name of N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile (CID 160605164) is N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile.
What is the SMILES notation for N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile?
The canonical SMILES for N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile is CCCN(C)Cc1cn[nH]c1-c1cc(C#N)ccc1C.CCCN(C)Cc1cn[nH]c1-c1cc(Cl)ccc1F.CCCN(C)Cc1cn[nH]c1-c1cc(Cl)ccc1OC.CCCN(C)Cc1cn[nH]c1-c1cc(F)ccc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1C(F)(F)F.
What is the InChIKey of N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile?
The InChIKey is RETWSEBOGIMAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O.C16H20N4.C16H23N3O.C15H20ClN3O.C15H20FN3.C15H21N3O.C14H17ClFN3/c1-4-7-22(2)10-11-9-20-21-15(11)13-6-5-12(23-3)8-14(13)16(17,18)19;1-4-7-20(3)11-14-10-18-19-16(14)15-8-13(9-17)6-5-12(15)2;1-5-8-19(3)11-13-10-17-18-16(13)15-7-6-14(20-4)9-12(15)2;1-4-7-19(2)10-11-9-17-18-15(11)13-8-12(16)5-6-14(13)20-3;1-4-7-19(3)10-12-9-17-18-15(12)14-8-13(16)6-5-11(14)2;1-4-9-18(2)11-13-10-16-17-15(13)12-5-7-14(19-3)8-6-12;1-3-6-19(2)9-10-8-17-18-14(10)12-7-11(15)4-5-13(12)16/h5-6,8-9H,4,7,10H2,1-3H3,(H,20,21);5-6,8,10H,4,7,11H2,1-3H3,(H,18,19);6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);5-8,10H,4,9,11H2,1-3H3,(H,16,17);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile?
N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile has a molecular weight of 1965.35 g/mol, XLogP of 23.86, 39 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile is sourced from PubChem (CID 160605164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).