N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C83H100ClF17N16O2 — CID 161122945

IUPACN-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)ccc1C.CCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(Cl)cc1C.CCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(F)cc1C#N.CCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)ccc1OC.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(C(F)(F)F)c1F
InChIInChI=1S/C18H23F4N3O.C17H22F3N3.C16H19ClF3N3.C16H16F4N4.C16H20F3N3O/c1-5-8-25(4)10-12-9-23-24-17(12)13-6-7-14(26-11(2)3)15(16(13)19)18(20,21)22;1-4-5-8-23(3)11-13-10-21-22-16(13)15-9-14(17(18,19)20)7-6-12(15)2;1-4-5-23(3)9-11-8-21-22-15(11)12-7-13(16(18,19)20)14(17)6-10(12)2;1-3-4-24(2)9-11-8-22-23-15(11)12-6-13(16(18,19)20)14(17)5-10(12)7-21;1-4-7-22(2)10-11-9-20-21-15(11)13-8-12(16(17,18)19)5-6-14(13)23-3/h6-7,9,11H,5,8,10H2,1-4H3,(H,23,24);6-7,9-10H,4-5,8,11H2,1-3H3,(H,21,22);6-8H,4-5,9H2,1-3H3,(H,21,22);5-6,8H,3-4,9H2,1-2H3,(H,22,23);5-6,8-9H,4,7,10H2,1-3H3,(H,20,21)
InChIKeyULEOBGGSYNBJTQ-UHFFFAOYSA-N
MW1712.24 g/mol
LogP22.29
Rot. Bonds29

About N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 161122945) has the molecular formula C83H100ClF17N16O2 and a molecular weight of 1712.24 g/mol. Its IUPAC name is N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID161122945
Molecular FormulaC83H100ClF17N16O2
Molecular Weight1712.24 g/mol
Exact Mass1710.76
IUPAC NameN-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)ccc1C.CCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(Cl)cc1C.CCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(F)cc1C#N.CCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)ccc1OC.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(C(F)(F)F)c1F
InChIInChI=1S/C18H23F4N3O.C17H22F3N3.C16H19ClF3N3.C16H16F4N4.C16H20F3N3O/c1-5-8-25(4)10-12-9-23-24-17(12)13-6-7-14(26-11(2)3)15(16(13)19)18(20,21)22;1-4-5-8-23(3)11-13-10-21-22-16(13)15-9-14(17(18,19)20)7-6-12(15)2;1-4-5-23(3)9-11-8-21-22-15(11)12-7-13(16(18,19)20)14(17)6-10(12)2;1-3-4-24(2)9-11-8-22-23-15(11)12-6-13(16(18,19)20)14(17)5-10(12)7-21;1-4-7-22(2)10-11-9-20-21-15(11)13-8-12(16(17,18)19)5-6-14(13)23-3/h6-7,9,11H,5,8,10H2,1-4H3,(H,23,24);6-7,9-10H,4-5,8,11H2,1-3H3,(H,21,22);6-8H,4-5,9H2,1-3H3,(H,21,22);5-6,8H,3-4,9H2,1-2H3,(H,22,23);5-6,8-9H,4,7,10H2,1-3H3,(H,20,21)
InChIKeyULEOBGGSYNBJTQ-UHFFFAOYSA-N
XLogP22.29
TPSA201.85 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001712.24
LogP ≤ 522.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 161122945) is N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)ccc1C.CCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(Cl)cc1C.CCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)c(F)cc1C#N.CCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)ccc1OC.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(C(F)(F)F)c1F.
What is the InChIKey of N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is ULEOBGGSYNBJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F4N3O.C17H22F3N3.C16H19ClF3N3.C16H16F4N4.C16H20F3N3O/c1-5-8-25(4)10-12-9-23-24-17(12)13-6-7-14(26-11(2)3)15(16(13)19)18(20,21)22;1-4-5-8-23(3)11-13-10-21-22-16(13)15-9-14(17(18,19)20)7-6-12(15)2;1-4-5-23(3)9-11-8-21-22-15(11)12-7-13(16(18,19)20)14(17)6-10(12)2;1-3-4-24(2)9-11-8-22-23-15(11)12-6-13(16(18,19)20)14(17)5-10(12)7-21;1-4-7-22(2)10-11-9-20-21-15(11)13-8-12(16(17,18)19)5-6-14(13)23-3/h6-7,9,11H,5,8,10H2,1-4H3,(H,23,24);6-7,9-10H,4-5,8,11H2,1-3H3,(H,21,22);6-8H,4-5,9H2,1-3H3,(H,21,22);5-6,8H,3-4,9H2,1-2H3,(H,22,23);5-6,8-9H,4,7,10H2,1-3H3,(H,20,21).
What are the key properties of N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1712.24 g/mol, XLogP of 22.29, 29 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-chloro-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;5-fluoro-2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzonitrile;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 161122945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).