N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide

C14H20F3N5O2 — CID 39948535

IUPACN,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H20F3N5O2/c1-19(2)12(23)9-20-5-7-21(8-6-20)13(24)10-22-4-3-11(18-22)14(15,16)17/h3-4H,5-10H2,1-2H3
InChIKeyQLGHOYNBNMUNNA-UHFFFAOYSA-N
MW347.34 g/mol
LogP0.13
Rot. Bonds4

About N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide (PubChem CID 39948535) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide
PubChem CID39948535
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC NameN,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H20F3N5O2/c1-19(2)12(23)9-20-5-7-21(8-6-20)13(24)10-22-4-3-11(18-22)14(15,16)17/h3-4H,5-10H2,1-2H3
InChIKeyQLGHOYNBNMUNNA-UHFFFAOYSA-N
XLogP0.13
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide (CID 39948535) is N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide is CN(C)C(=O)CN1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide?
The InChIKey is QLGHOYNBNMUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-19(2)12(23)9-20-5-7-21(8-6-20)13(24)10-22-4-3-11(18-22)14(15,16)17/h3-4H,5-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 347.34 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 39948535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).