N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C81H102Cl2F6N18 — CID 159575750

IUPACN-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1c(-c2ccc(C#N)cc2)cnn1C.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1C(F)(F)F.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCCC2)cc1.CCCN(C)Cc1nn(C)cc1-c1ccc(C#N)cc1
InChIInChI=1S/C19H28N4.C16H17F6N3.2C16H20N4.C14H17Cl2N3/c1-3-11-22(2)15-17-14-20-21-19(17)16-7-9-18(10-8-16)23-12-5-4-6-13-23;1-3-6-25(2)9-10-8-23-24-14(10)12-5-4-11(15(17,18)19)7-13(12)16(20,21)22;1-4-9-19(2)12-16-15(11-20(3)18-16)14-7-5-13(10-17)6-8-14;1-4-9-19(2)12-16-15(11-18-20(16)3)14-7-5-13(10-17)6-8-14;1-3-6-19(2)9-10-8-17-18-14(10)12-5-4-11(15)7-13(12)16/h7-10,14H,3-6,11-13,15H2,1-2H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,23,24);2*5-8,11H,4,9,12H2,1-3H3;4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyMIJOAIGETYXHGF-UHFFFAOYSA-N
MW1512.73 g/mol
LogP18.69
Rot. Bonds26

About N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 159575750) has the molecular formula C81H102Cl2F6N18 and a molecular weight of 1512.73 g/mol. Its IUPAC name is N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID159575750
Molecular FormulaC81H102Cl2F6N18
Molecular Weight1512.73 g/mol
Exact Mass1510.78
IUPAC NameN-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1c(-c2ccc(C#N)cc2)cnn1C.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1C(F)(F)F.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCCC2)cc1.CCCN(C)Cc1nn(C)cc1-c1ccc(C#N)cc1
InChIInChI=1S/C19H28N4.C16H17F6N3.2C16H20N4.C14H17Cl2N3/c1-3-11-22(2)15-17-14-20-21-19(17)16-7-9-18(10-8-16)23-12-5-4-6-13-23;1-3-6-25(2)9-10-8-23-24-14(10)12-5-4-11(15(17,18)19)7-13(12)16(20,21)22;1-4-9-19(2)12-16-15(11-20(3)18-16)14-7-5-13(10-17)6-8-14;1-4-9-19(2)12-16-15(11-18-20(16)3)14-7-5-13(10-17)6-8-14;1-3-6-19(2)9-10-8-17-18-14(10)12-5-4-11(15)7-13(12)16/h7-10,14H,3-6,11-13,15H2,1-2H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,23,24);2*5-8,11H,4,9,12H2,1-3H3;4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyMIJOAIGETYXHGF-UHFFFAOYSA-N
XLogP18.69
TPSA188.70 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.73
LogP ≤ 518.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
CID 157282143
4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
CID 159290463
2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile
CID 167655374

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 159575750) is N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCN(C)Cc1c(-c2ccc(C#N)cc2)cnn1C.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1C(F)(F)F.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCCC2)cc1.CCCN(C)Cc1nn(C)cc1-c1ccc(C#N)cc1.
What is the InChIKey of N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is MIJOAIGETYXHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4.C16H17F6N3.2C16H20N4.C14H17Cl2N3/c1-3-11-22(2)15-17-14-20-21-19(17)16-7-9-18(10-8-16)23-12-5-4-6-13-23;1-3-6-25(2)9-10-8-23-24-14(10)12-5-4-11(15(17,18)19)7-13(12)16(20,21)22;1-4-9-19(2)12-16-15(11-20(3)18-16)14-7-5-13(10-17)6-8-14;1-4-9-19(2)12-16-15(11-18-20(16)3)14-7-5-13(10-17)6-8-14;1-3-6-19(2)9-10-8-17-18-14(10)12-5-4-11(15)7-13(12)16/h7-10,14H,3-6,11-13,15H2,1-2H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,23,24);2*5-8,11H,4,9,12H2,1-3H3;4-5,7-8H,3,6,9H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1512.73 g/mol, XLogP of 18.69, 26 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;4-[1-methyl-3-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;4-[1-methyl-5-[[methyl(propyl)amino]methyl]pyrazol-4-yl]benzonitrile;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 159575750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).