ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate

C13H16ClF3N4O3 — CID 19279489

IUPACethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2nn(C)c(C(F)(F)F)c2Cl)CC1
InChIInChI=1S/C13H16ClF3N4O3/c1-3-24-12(23)21-6-4-20(5-7-21)11(22)9-8(14)10(13(15,16)17)19(2)18-9/h3-7H2,1-2H3
InChIKeyFMZFEWRPUKCRCX-UHFFFAOYSA-N
MW368.74 g/mol
LogP2.01
Rot. Bonds2

About ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate (PubChem CID 19279489) has the molecular formula C13H16ClF3N4O3 and a molecular weight of 368.74 g/mol. Its IUPAC name is ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
PubChem CID19279489
Molecular FormulaC13H16ClF3N4O3
Molecular Weight368.74 g/mol
Exact Mass368.09
IUPAC Nameethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2nn(C)c(C(F)(F)F)c2Cl)CC1
InChIInChI=1S/C13H16ClF3N4O3/c1-3-24-12(23)21-6-4-20(5-7-21)11(22)9-8(14)10(13(15,16)17)19(2)18-9/h3-7H2,1-2H3
InChIKeyFMZFEWRPUKCRCX-UHFFFAOYSA-N
XLogP2.01
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 19279135
ethyl 4-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 19479042
ethyl 4-(4-iodo-1-methylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 19279180
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbonyl]piperazine-1-carboxylate
CID 110385030
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110299419
ethyl 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-1-carboxylate
CID 110388853
ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 36800258
ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 155980533
ethyl 4-(2-chloro-7-fluoroquinoline-3-carbonyl)piperazine-1-carboxylate
CID 110299144
tert-butyl 4-(3-ethoxycarbonyl-1-methylpyrazole-5-carbonyl)piperazine-1-carboxylate
CID 168882269

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate (CID 19279489) is ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2nn(C)c(C(F)(F)F)c2Cl)CC1.
What is the InChIKey of ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is FMZFEWRPUKCRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N4O3/c1-3-24-12(23)21-6-4-20(5-7-21)11(22)9-8(14)10(13(15,16)17)19(2)18-9/h3-7H2,1-2H3.
What are the key properties of ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 368.74 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 19279489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).