N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone

C83H79F18N15O5 — CID 161254971

IUPACN,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone
SMILESCN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2CC(F)(F)F)c1.Cn1nc(-c2cccc(C(=O)N3CCCCC3)c2)cc1C(F)(F)F.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)N1CCCCC1.O=C(c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1)N1CCCCC1
InChIInChI=1S/C19H16F3N3O.C17H18F3N3O.2C16H16F3N3O.C15H13F6N3O/c1-24(2)18(26)14-8-6-7-13(11-14)16-12-17(19(20,21)22)23-25(16)15-9-4-3-5-10-15;1-22-15(17(18,19)20)11-14(21-22)12-6-5-7-13(10-12)16(24)23-8-3-2-4-9-23;17-16(18,19)14-10-13(20-21-14)11-4-6-12(7-5-11)15(23)22-8-2-1-3-9-22;17-16(18,19)14-10-13(20-21-14)11-5-4-6-12(9-11)15(23)22-7-2-1-3-8-22;1-23(2)13(25)10-5-3-4-9(6-10)11-7-12(15(19,20)21)22-24(11)8-14(16,17)18/h3-12H,1-2H3;5-7,10-11H,2-4,8-9H2,1H3;4-7,10H,1-3,8-9H2,(H,20,21);4-6,9-10H,1-3,7-8H2,(H,20,21);3-7H,8H2,1-2H3
InChIKeyVBUBWGQNXDUIFF-UHFFFAOYSA-N
MW1708.61 g/mol
LogP19.27
Rot. Bonds12

About N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone

N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone (PubChem CID 161254971) has the molecular formula C83H79F18N15O5 and a molecular weight of 1708.61 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone
PubChem CID161254971
Molecular FormulaC83H79F18N15O5
Molecular Weight1708.61 g/mol
Exact Mass1707.61
IUPAC NameN,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone
SMILESCN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2CC(F)(F)F)c1.Cn1nc(-c2cccc(C(=O)N3CCCCC3)c2)cc1C(F)(F)F.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)N1CCCCC1.O=C(c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1)N1CCCCC1
InChIInChI=1S/C19H16F3N3O.C17H18F3N3O.2C16H16F3N3O.C15H13F6N3O/c1-24(2)18(26)14-8-6-7-13(11-14)16-12-17(19(20,21)22)23-25(16)15-9-4-3-5-10-15;1-22-15(17(18,19)20)11-14(21-22)12-6-5-7-13(10-12)16(24)23-8-3-2-4-9-23;17-16(18,19)14-10-13(20-21-14)11-4-6-12(7-5-11)15(23)22-8-2-1-3-9-22;17-16(18,19)14-10-13(20-21-14)11-5-4-6-12(9-11)15(23)22-7-2-1-3-8-22;1-23(2)13(25)10-5-3-4-9(6-10)11-7-12(15(19,20)21)22-24(11)8-14(16,17)18/h3-12H,1-2H3;5-7,10-11H,2-4,8-9H2,1H3;4-7,10H,1-3,8-9H2,(H,20,21);4-6,9-10H,1-3,7-8H2,(H,20,21);3-7H,8H2,1-2H3
InChIKeyVBUBWGQNXDUIFF-UHFFFAOYSA-N
XLogP19.27
TPSA212.37 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms121
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.61
LogP ≤ 519.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone?
The IUPAC name of N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone (CID 161254971) is N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone.
What is the SMILES notation for N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone?
The canonical SMILES for N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone is CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2CC(F)(F)F)c1.Cn1nc(-c2cccc(C(=O)N3CCCCC3)c2)cc1C(F)(F)F.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)N1CCCCC1.O=C(c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1)N1CCCCC1.
What is the InChIKey of N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone?
The InChIKey is VBUBWGQNXDUIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O.C17H18F3N3O.2C16H16F3N3O.C15H13F6N3O/c1-24(2)18(26)14-8-6-7-13(11-14)16-12-17(19(20,21)22)23-25(16)15-9-4-3-5-10-15;1-22-15(17(18,19)20)11-14(21-22)12-6-5-7-13(10-12)16(24)23-8-3-2-4-9-23;17-16(18,19)14-10-13(20-21-14)11-4-6-12(7-5-11)15(23)22-8-2-1-3-9-22;17-16(18,19)14-10-13(20-21-14)11-5-4-6-12(9-11)15(23)22-7-2-1-3-8-22;1-23(2)13(25)10-5-3-4-9(6-10)11-7-12(15(19,20)21)22-24(11)8-14(16,17)18/h3-12H,1-2H3;5-7,10-11H,2-4,8-9H2,1H3;4-7,10H,1-3,8-9H2,(H,20,21);4-6,9-10H,1-3,7-8H2,(H,20,21);3-7H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone?
N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone has a molecular weight of 1708.61 g/mol, XLogP of 19.27, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone is sourced from PubChem (CID 161254971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).