N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C14H20F3N5O2 — CID 167911710

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCCN1CCN(C(=O)CNC(=O)c2ccnn2CC(F)(F)F)CC1
InChIInChI=1S/C14H20F3N5O2/c1-2-20-5-7-21(8-6-20)12(23)9-18-13(24)11-3-4-19-22(11)10-14(15,16)17/h3-4H,2,5-10H2,1H3,(H,18,24)
InChIKeyMPCGZNOZZLDOHT-UHFFFAOYSA-N
MW347.34 g/mol
LogP0.34
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 167911710) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID167911710
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCCN1CCN(C(=O)CNC(=O)c2ccnn2CC(F)(F)F)CC1
InChIInChI=1S/C14H20F3N5O2/c1-2-20-5-7-21(8-6-20)12(23)9-18-13(24)11-3-4-19-22(11)10-14(15,16)17/h3-4H,2,5-10H2,1H3,(H,18,24)
InChIKeyMPCGZNOZZLDOHT-UHFFFAOYSA-N
XLogP0.34
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 95043723
6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane
CID 145308024
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991714
2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61260523
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 91945694
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 97465236
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124863557
N-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 138723430
2-(3-chloro-4-fluoroanilino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995634
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
2-amino-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 60847921

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 167911710) is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CCN1CCN(C(=O)CNC(=O)c2ccnn2CC(F)(F)F)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is MPCGZNOZZLDOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-2-20-5-7-21(8-6-20)12(23)9-18-13(24)11-3-4-19-22(11)10-14(15,16)17/h3-4H,2,5-10H2,1H3,(H,18,24).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 167911710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).