N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C88H115F9N16O3 — CID 162103823

IUPACN-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1cn(CC2COC2)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1C(F)(F)F.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCCC2)cc1.CCCN(C)Cc1cnn(C2COC2)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CC2COC2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H28N4.2C18H24FN3O.C17H22FN3O.C16H17F6N3/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;1-3-8-21(2)11-16-9-20-22(10-14-12-23-13-14)18(16)15-4-6-17(19)7-5-15;1-3-8-21(2)10-16-11-22(9-14-12-23-13-14)20-18(16)15-4-6-17(19)7-5-15;1-3-8-20(2)10-14-9-19-21(16-11-22-12-16)17(14)13-4-6-15(18)7-5-13;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/h7-10,14H,3-6,11-13,15H2,1-2H3,(H,20,21);4-7,9,14H,3,8,10-13H2,1-2H3;4-7,11,14H,3,8-10,12-13H2,1-2H3;4-7,9,16H,3,8,10-12H2,1-2H3;4-5,7-8H,3,6,9H2,1-2H3,(H,23,24)
InChIKeyZFFYEYMPVROCQC-UHFFFAOYSA-N
MW1615.98 g/mol
LogP18.32
Rot. Bonds31

About N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;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-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 162103823) has the molecular formula C88H115F9N16O3 and a molecular weight of 1615.98 g/mol. Its IUPAC name is N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;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-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID162103823
Molecular FormulaC88H115F9N16O3
Molecular Weight1615.98 g/mol
Exact Mass1614.92
IUPAC NameN-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1cn(CC2COC2)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1C(F)(F)F.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCCC2)cc1.CCCN(C)Cc1cnn(C2COC2)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CC2COC2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H28N4.2C18H24FN3O.C17H22FN3O.C16H17F6N3/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;1-3-8-21(2)11-16-9-20-22(10-14-12-23-13-14)18(16)15-4-6-17(19)7-5-15;1-3-8-21(2)10-16-11-22(9-14-12-23-13-14)20-18(16)15-4-6-17(19)7-5-15;1-3-8-20(2)10-14-9-19-21(16-11-22-12-16)17(14)13-4-6-15(18)7-5-13;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/h7-10,14H,3-6,11-13,15H2,1-2H3,(H,20,21);4-7,9,14H,3,8,10-13H2,1-2H3;4-7,11,14H,3,8-10,12-13H2,1-2H3;4-7,9,16H,3,8,10-12H2,1-2H3;4-5,7-8H,3,6,9H2,1-2H3,(H,23,24)
InChIKeyZFFYEYMPVROCQC-UHFFFAOYSA-N
XLogP18.32
TPSA157.95 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms116
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.98
LogP ≤ 518.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;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-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 162103823) is N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;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-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;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-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCN(C)Cc1cn(CC2COC2)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1C(F)(F)F.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCCC2)cc1.CCCN(C)Cc1cnn(C2COC2)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CC2COC2)c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is ZFFYEYMPVROCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4.2C18H24FN3O.C17H22FN3O.C16H17F6N3/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;1-3-8-21(2)11-16-9-20-22(10-14-12-23-13-14)18(16)15-4-6-17(19)7-5-15;1-3-8-21(2)10-16-11-22(9-14-12-23-13-14)20-18(16)15-4-6-17(19)7-5-15;1-3-8-20(2)10-14-9-19-21(16-11-22-12-16)17(14)13-4-6-15(18)7-5-13;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/h7-10,14H,3-6,11-13,15H2,1-2H3,(H,20,21);4-7,9,14H,3,8,10-13H2,1-2H3;4-7,11,14H,3,8-10,12-13H2,1-2H3;4-7,9,16H,3,8,10-12H2,1-2H3;4-5,7-8H,3,6,9H2,1-2H3,(H,23,24).
What are the key properties of N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;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-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1615.98 g/mol, XLogP of 18.32, 31 rotatable bonds, 2 hydrogen bond donors, and 17 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-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 162103823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).