N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine

C79H107Cl3F2N16O3 — CID 162041514

IUPACN-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCCCN(C)Cc1cn[nH]c1-c1cc(Cl)cc(OC)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1cccc(F)c1C.CN(CCN)Cc1cn(CC2CCOCC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H27FN4O.2C15H20ClN3O.C15H20ClN3.C15H20FN3/c1-23(9-8-21)13-17-14-24(12-15-6-10-25-11-7-15)22-19(17)16-2-4-18(20)5-3-16;1-4-7-19(2)10-12-9-17-18-15(12)11-5-6-14(20-3)13(16)8-11;1-4-5-19(2)10-12-9-17-18-15(12)11-6-13(16)8-14(7-11)20-3;1-4-7-19(3)10-13-9-17-18-15(13)12-6-5-11(2)14(16)8-12;1-4-8-19(3)10-12-9-17-18-15(12)13-6-5-7-14(16)11(13)2/h2-5,14-15H,6-13,21H2,1H3;5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);6-9H,4-5,10H2,1-3H3,(H,17,18);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);5-7,9H,4,8,10H2,1-3H3,(H,17,18)
InChIKeyYXILMBUAJPHPOL-UHFFFAOYSA-N
MW1473.19 g/mol
LogP16.91
Rot. Bonds29

About N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine

N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 162041514) has the molecular formula C79H107Cl3F2N16O3 and a molecular weight of 1473.19 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
PubChem CID162041514
Molecular FormulaC79H107Cl3F2N16O3
Molecular Weight1473.19 g/mol
Exact Mass1470.77
IUPAC NameN-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCCCN(C)Cc1cn[nH]c1-c1cc(Cl)cc(OC)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1cccc(F)c1C.CN(CCN)Cc1cn(CC2CCOCC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H27FN4O.2C15H20ClN3O.C15H20ClN3.C15H20FN3/c1-23(9-8-21)13-17-14-24(12-15-6-10-25-11-7-15)22-19(17)16-2-4-18(20)5-3-16;1-4-7-19(2)10-12-9-17-18-15(12)11-5-6-14(20-3)13(16)8-11;1-4-5-19(2)10-12-9-17-18-15(12)11-6-13(16)8-14(7-11)20-3;1-4-7-19(3)10-13-9-17-18-15(13)12-6-5-11(2)14(16)8-12;1-4-8-19(3)10-12-9-17-18-15(12)13-6-5-7-14(16)11(13)2/h2-5,14-15H,6-13,21H2,1H3;5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);6-9H,4-5,10H2,1-3H3,(H,17,18);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);5-7,9H,4,8,10H2,1-3H3,(H,17,18)
InChIKeyYXILMBUAJPHPOL-UHFFFAOYSA-N
XLogP16.91
TPSA202.45 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001473.19
LogP ≤ 516.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

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-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-[[5-[2-methoxy-4-(2-methylpropyl)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[2-methyl-3-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 159147070
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
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-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 159542731
N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 159935363
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;4-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 159942457
N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;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-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 160321003
N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-2-fluoro-4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 160497569
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-fluoro-4-(2-methylpropoxy)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'-methyl-N'-[[5-[2-methyl-4-(3-methylbutoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propane-1,3-diamine
CID 160590824
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-(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 161653138

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (CID 162041514) is N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is CCCN(C)Cc1cn[nH]c1-c1cc(Cl)cc(OC)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1cccc(F)c1C.CN(CCN)Cc1cn(CC2CCOCC2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is YXILMBUAJPHPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O.2C15H20ClN3O.C15H20ClN3.C15H20FN3/c1-23(9-8-21)13-17-14-24(12-15-6-10-25-11-7-15)22-19(17)16-2-4-18(20)5-3-16;1-4-7-19(2)10-12-9-17-18-15(12)11-5-6-14(20-3)13(16)8-11;1-4-5-19(2)10-12-9-17-18-15(12)11-6-13(16)8-14(7-11)20-3;1-4-7-19(3)10-13-9-17-18-15(13)12-6-5-11(2)14(16)8-12;1-4-8-19(3)10-12-9-17-18-15(12)13-6-5-7-14(16)11(13)2/h2-5,14-15H,6-13,21H2,1H3;5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);6-9H,4-5,10H2,1-3H3,(H,17,18);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);5-7,9H,4,8,10H2,1-3H3,(H,17,18).
What are the key properties of N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 1473.19 g/mol, XLogP of 16.91, 29 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 162041514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).