N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide

C19H22F3N5O2 — CID 135375983

IUPACN-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C19H22F3N5O2/c1-14(28)24(2)17-11-23-27(13-17)18(29)26-8-6-25(7-9-26)12-15-4-3-5-16(10-15)19(20,21)22/h3-5,10-11,13H,6-9,12H2,1-2H3
InChIKeyPYDVGZYAPHUODJ-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.67
Rot. Bonds3

About N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide

N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375983) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375983
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC NameN-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C19H22F3N5O2/c1-14(28)24(2)17-11-23-27(13-17)18(29)26-8-6-25(7-9-26)12-15-4-3-5-16(10-15)19(20,21)22/h3-5,10-11,13H,6-9,12H2,1-2H3
InChIKeyPYDVGZYAPHUODJ-UHFFFAOYSA-N
XLogP2.67
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide (CID 135375983) is N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is PYDVGZYAPHUODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-14(28)24(2)17-11-23-27(13-17)18(29)26-8-6-25(7-9-26)12-15-4-3-5-16(10-15)19(20,21)22/h3-5,10-11,13H,6-9,12H2,1-2H3.
What are the key properties of N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide?
N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 409.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).