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

C59H71Cl3F5N13O — CID 157368603

IUPACN-[[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
SMILESCCCN(C)Cc1[nH]ncc1-c1ccc(OC(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1cc(Cl)cc(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccccc1C#N
InChIInChI=1S/C15H17ClF3N3.C15H19F2N3O.C15H18N4.C14H17Cl2N3/c1-3-6-22(2)9-10-8-20-21-14(10)12-5-4-11(7-13(12)16)15(17,18)19;1-3-8-20(2)10-14-13(9-18-19-14)11-4-6-12(7-5-11)21-15(16)17;1-3-8-19(2)11-13-10-17-18-15(13)14-7-5-4-6-12(14)9-16;1-3-4-19(2)9-11-8-17-18-14(11)10-5-12(15)7-13(16)6-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);4-7,9,15H,3,8,10H2,1-2H3,(H,18,19);4-7,10H,3,8,11H2,1-2H3,(H,17,18);5-8H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyBJMFNEHRLPOLDM-UHFFFAOYSA-N
MW1179.66 g/mol
LogP15.13
Rot. Bonds22

About 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

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 (PubChem CID 157368603) has the molecular formula C59H71Cl3F5N13O and a molecular weight of 1179.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID157368603
Molecular FormulaC59H71Cl3F5N13O
Molecular Weight1179.66 g/mol
Exact Mass1177.49
IUPAC NameN-[[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
SMILESCCCN(C)Cc1[nH]ncc1-c1ccc(OC(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1cc(Cl)cc(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccccc1C#N
InChIInChI=1S/C15H17ClF3N3.C15H19F2N3O.C15H18N4.C14H17Cl2N3/c1-3-6-22(2)9-10-8-20-21-14(10)12-5-4-11(7-13(12)16)15(17,18)19;1-3-8-20(2)10-14-13(9-18-19-14)11-4-6-12(7-5-11)21-15(16)17;1-3-8-19(2)11-13-10-17-18-15(13)14-7-5-4-6-12(14)9-16;1-3-4-19(2)9-11-8-17-18-14(11)10-5-12(15)7-13(16)6-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);4-7,9,15H,3,8,10H2,1-2H3,(H,18,19);4-7,10H,3,8,11H2,1-2H3,(H,17,18);5-8H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyBJMFNEHRLPOLDM-UHFFFAOYSA-N
XLogP15.13
TPSA160.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.66
LogP ≤ 515.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 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
5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;bis(5-[(E)-2-phenylethenyl]-1H-pyrazole);5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 158633432
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
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-[[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-(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-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;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 159899381
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-[[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN(C)Cc1[nH]ncc1-c1ccc(OC(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1cc(Cl)cc(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccccc1C#N.
What is the InChIKey of 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?
The InChIKey is BJMFNEHRLPOLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3.C15H19F2N3O.C15H18N4.C14H17Cl2N3/c1-3-6-22(2)9-10-8-20-21-14(10)12-5-4-11(7-13(12)16)15(17,18)19;1-3-8-20(2)10-14-13(9-18-19-14)11-4-6-12(7-5-11)21-15(16)17;1-3-8-19(2)11-13-10-17-18-15(13)14-7-5-4-6-12(14)9-16;1-3-4-19(2)9-11-8-17-18-14(11)10-5-12(15)7-13(16)6-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);4-7,9,15H,3,8,10H2,1-2H3,(H,18,19);4-7,10H,3,8,11H2,1-2H3,(H,17,18);5-8H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 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?
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 has a molecular weight of 1179.66 g/mol, XLogP of 15.13, 22 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157368603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).