3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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

C83H88F15N15O5 — CID 157261189

IUPAC3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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
SMILESCC(C)n1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2C2CCCC2)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/C18H20F3N3O.C17H18F3N3O.2C16H16F3N3O.C16H18F3N3O/c1-23(2)17(25)13-7-5-6-12(10-13)15-11-16(18(19,20)21)22-24(15)14-8-3-4-9-14;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;1-10(2)22-14(16(17,18)19)9-13(20-22)11-6-5-7-12(8-11)15(23)21(3)4/h5-7,10-11,14H,3-4,8-9H2,1-2H3;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);5-10H,1-4H3
InChIKeyAXLYWQFEHPTMKJ-UHFFFAOYSA-N
MW1660.69 g/mol
LogP19.41
Rot. Bonds12

About 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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

3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 157261189) has the molecular formula C83H88F15N15O5 and a molecular weight of 1660.69 g/mol. Its IUPAC name is 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 Name3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 CID157261189
Molecular FormulaC83H88F15N15O5
Molecular Weight1660.69 g/mol
Exact Mass1659.69
IUPAC Name3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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
SMILESCC(C)n1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2C2CCCC2)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/C18H20F3N3O.C17H18F3N3O.2C16H16F3N3O.C16H18F3N3O/c1-23(2)17(25)13-7-5-6-12(10-13)15-11-16(18(19,20)21)22-24(15)14-8-3-4-9-14;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;1-10(2)22-14(16(17,18)19)9-13(20-22)11-6-5-7-12(8-11)15(23)21(3)4/h5-7,10-11,14H,3-4,8-9H2,1-2H3;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);5-10H,1-4H3
InChIKeyAXLYWQFEHPTMKJ-UHFFFAOYSA-N
XLogP19.41
TPSA212.37 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001660.69
LogP ≤ 519.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 157261189) is 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 CC(C)n1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2C2CCCC2)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 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 AXLYWQFEHPTMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O.C17H18F3N3O.2C16H16F3N3O.C16H18F3N3O/c1-23(2)17(25)13-7-5-6-12(10-13)15-11-16(18(19,20)21)22-24(15)14-8-3-4-9-14;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;1-10(2)22-14(16(17,18)19)9-13(20-22)11-6-5-7-12(8-11)15(23)21(3)4/h5-7,10-11,14H,3-4,8-9H2,1-2H3;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);5-10H,1-4H3.
What are the key properties of 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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?
3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 1660.69 g/mol, XLogP of 19.41, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-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 157261189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).