N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide

C20H25F3N4O2 — CID 95831468

About N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide

N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide (PubChem CID 95831468) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide
• PubChem CID: 95831468
• Molecular Formula: C20H25F3N4O2
• Molecular Weight: 410.44 g/mol
• Exact Mass: 410.19
• IUPAC Name: N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide
• SMILES: CN(C)C(=O)CN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1
• InChI: InChI=1S/C20H25F3N4O2/c1-26(2)19(28)13-27-9-7-14(12-27)18-11-16(24-25-18)8-10-29-17-5-3-15(4-6-17)20(21,22)23/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,24,25)/t14-/m1/s1
• InChIKey: TYLLMJXLPURBEJ-CQSZACIVSA-N
• XLogP: 2.93
• TPSA: 61.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.44
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide?

The IUPAC name of N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide (CID 95831468) is N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide.

What is the SMILES notation for N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide?

The canonical SMILES for N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide is CN(C)C(=O)CN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1.

What is the InChIKey of N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide?

The InChIKey is TYLLMJXLPURBEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-26(2)19(28)13-27-9-7-14(12-27)18-11-16(24-25-18)8-10-29-17-5-3-15(4-6-17)20(21,22)23/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,24,25)/t14-/m1/s1.

What are the key properties of N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide?

N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 410.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95831468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).