ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate

C16H23F3N4O3 — CID 19540307

IUPACethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)Cn2nc(C(F)(F)F)cc2C)CC1
InChIInChI=1S/C16H23F3N4O3/c1-4-26-15(25)22-7-5-21(6-8-22)14(24)11(2)10-23-12(3)9-13(20-23)16(17,18)19/h9,11H,4-8,10H2,1-3H3
InChIKeyUGVZTHNXYDFNLS-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.15
Rot. Bonds4

About ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate

ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate (PubChem CID 19540307) has the molecular formula C16H23F3N4O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate
PubChem CID19540307
Molecular FormulaC16H23F3N4O3
Molecular Weight376.38 g/mol
Exact Mass376.17
IUPAC Nameethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)Cn2nc(C(F)(F)F)cc2C)CC1
InChIInChI=1S/C16H23F3N4O3/c1-4-26-15(25)22-7-5-21(6-8-22)14(24)11(2)10-23-12(3)9-13(20-23)16(17,18)19/h9,11H,4-8,10H2,1-3H3
InChIKeyUGVZTHNXYDFNLS-UHFFFAOYSA-N
XLogP2.15
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate (CID 19540307) is ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(C)Cn2nc(C(F)(F)F)cc2C)CC1.
What is the InChIKey of ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate?
The InChIKey is UGVZTHNXYDFNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O3/c1-4-26-15(25)22-7-5-21(6-8-22)14(24)11(2)10-23-12(3)9-13(20-23)16(17,18)19/h9,11H,4-8,10H2,1-3H3.
What are the key properties of ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate?
ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate has a molecular weight of 376.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 19540307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).