N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide

C11H14F3N5O2 — CID 90256814

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide
SMILESCn1nc(C(F)(F)F)cc1NC(=O)CN1CCNCC1=O
InChIInChI=1S/C11H14F3N5O2/c1-18-8(4-7(17-18)11(12,13)14)16-9(20)6-19-3-2-15-5-10(19)21/h4,15H,2-3,5-6H2,1H3,(H,16,20)
InChIKeyUCKQVNPAMYQNKT-UHFFFAOYSA-N
MW305.26 g/mol
LogP-0.19
Rot. Bonds3

About N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide

N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide (PubChem CID 90256814) has the molecular formula C11H14F3N5O2 and a molecular weight of 305.26 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide
PubChem CID90256814
Molecular FormulaC11H14F3N5O2
Molecular Weight305.26 g/mol
Exact Mass305.11
IUPAC NameN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide
SMILESCn1nc(C(F)(F)F)cc1NC(=O)CN1CCNCC1=O
InChIInChI=1S/C11H14F3N5O2/c1-18-8(4-7(17-18)11(12,13)14)16-9(20)6-19-3-2-15-5-10(19)21/h4,15H,2-3,5-6H2,1H3,(H,16,20)
InChIKeyUCKQVNPAMYQNKT-UHFFFAOYSA-N
XLogP-0.19
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide (CID 90256814) is N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide is Cn1nc(C(F)(F)F)cc1NC(=O)CN1CCNCC1=O.
What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide?
The InChIKey is UCKQVNPAMYQNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2/c1-18-8(4-7(17-18)11(12,13)14)16-9(20)6-19-3-2-15-5-10(19)21/h4,15H,2-3,5-6H2,1H3,(H,16,20).
What are the key properties of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide?
N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide has a molecular weight of 305.26 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 90256814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).