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;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone

C₆₆H₇₀F₁₂N₁₂O₄ — CID 158625714

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;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;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 158625714) has the molecular formula C₆₆H₇₀F₁₂N₁₂O₄ and a molecular weight of 1323.34 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;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 Name: 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;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: 158625714
• Molecular Formula: C₆₆H₇₀F₁₂N₁₂O₄
• Molecular Weight: 1323.34 g/mol
• Exact Mass: 1322.55
• IUPAC Name: 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;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone
• SMILES: 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.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)N1CCCCC1.O=C(c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1)N1CCCCC1
• InChI: InChI=1S/C18H20F3N3O.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;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;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
• InChIKey: HYOLRKFQCTXGQB-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 174.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1323.34
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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;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;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 158625714) 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;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;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;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.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;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 HYOLRKFQCTXGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O.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;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;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;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;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 1323.34 g/mol, XLogP of 15.68, 10 rotatable bonds, 2 hydrogen bond donors, and 10 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;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 158625714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158625714 — identifiers, structure, computed properties (public domain)

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