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

C75H93ClF11N15O3 — CID 159899381

IUPACN-[[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
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C16H20F3N3O.C15H18F3N3O.C15H18F3N3.C15H19F2N3O.C14H18ClN3/c1-3-8-22(2)10-13-9-20-21-15(13)12-4-6-14(7-5-12)23-11-16(17,18)19;1-3-8-21(2)10-12-9-19-20-14(12)11-4-6-13(7-5-11)22-15(16,17)18;1-3-8-21(2)10-12-9-19-20-14(12)11-4-6-13(7-5-11)15(16,17)18;1-3-8-20(2)10-12-9-18-19-14(12)11-4-6-13(7-5-11)21-15(16)17;1-3-8-18(2)10-12-9-16-17-14(12)11-4-6-13(15)7-5-11/h4-7,9H,3,8,10-11H2,1-2H3,(H,20,21);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-7,9,15H,3,8,10H2,1-2H3,(H,18,19);4-7,9H,3,8,10H2,1-2H3,(H,16,17)
InChIKeyNVTJPQZEBAPTJN-UHFFFAOYSA-N
MW1497.10 g/mol
LogP18.71
Rot. Bonds30

About 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

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 (PubChem CID 159899381) has the molecular formula C75H93ClF11N15O3 and a molecular weight of 1497.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID159899381
Molecular FormulaC75H93ClF11N15O3
Molecular Weight1497.10 g/mol
Exact Mass1495.71
IUPAC NameN-[[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
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C16H20F3N3O.C15H18F3N3O.C15H18F3N3.C15H19F2N3O.C14H18ClN3/c1-3-8-22(2)10-13-9-20-21-15(13)12-4-6-14(7-5-12)23-11-16(17,18)19;1-3-8-21(2)10-12-9-19-20-14(12)11-4-6-13(7-5-11)22-15(16,17)18;1-3-8-21(2)10-12-9-19-20-14(12)11-4-6-13(7-5-11)15(16,17)18;1-3-8-20(2)10-12-9-18-19-14(12)11-4-6-13(7-5-11)21-15(16)17;1-3-8-18(2)10-12-9-16-17-14(12)11-4-6-13(15)7-5-11/h4-7,9H,3,8,10-11H2,1-2H3,(H,20,21);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-7,9,15H,3,8,10H2,1-2H3,(H,18,19);4-7,9H,3,8,10H2,1-2H3,(H,16,17)
InChIKeyNVTJPQZEBAPTJN-UHFFFAOYSA-N
XLogP18.71
TPSA187.29 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.10
LogP ≤ 518.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 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?
The InChIKey is NVTJPQZEBAPTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O.C15H18F3N3O.C15H18F3N3.C15H19F2N3O.C14H18ClN3/c1-3-8-22(2)10-13-9-20-21-15(13)12-4-6-14(7-5-12)23-11-16(17,18)19;1-3-8-21(2)10-12-9-19-20-14(12)11-4-6-13(7-5-11)22-15(16,17)18;1-3-8-21(2)10-12-9-19-20-14(12)11-4-6-13(7-5-11)15(16,17)18;1-3-8-20(2)10-12-9-18-19-14(12)11-4-6-13(7-5-11)21-15(16)17;1-3-8-18(2)10-12-9-16-17-14(12)11-4-6-13(15)7-5-11/h4-7,9H,3,8,10-11H2,1-2H3,(H,20,21);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-7,9,15H,3,8,10H2,1-2H3,(H,18,19);4-7,9H,3,8,10H2,1-2H3,(H,16,17).
What are the key properties of 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?
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 has a molecular weight of 1497.10 g/mol, XLogP of 18.71, 30 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159899381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).