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

C15H18F3N5O3 — CID 19534850

IUPACmethyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)c(C(=O)OC)n1
InChIInChI=1S/C15H18F3N5O3/c1-5-22-7-10(12(21-22)14(25)26-4)19-13(24)9(3)23-8(2)6-11(20-23)15(16,17)18/h6-7,9H,5H2,1-4H3,(H,19,24)
InChIKeyIDCQCEHOPNAIIS-UHFFFAOYSA-N
MW373.34 g/mol
LogP2.41
Rot. Bonds5

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

methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate (PubChem CID 19534850) has the molecular formula C15H18F3N5O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
PubChem CID19534850
Molecular FormulaC15H18F3N5O3
Molecular Weight373.34 g/mol
Exact Mass373.14
IUPAC Namemethyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)c(C(=O)OC)n1
InChIInChI=1S/C15H18F3N5O3/c1-5-22-7-10(12(21-22)14(25)26-4)19-13(24)9(3)23-8(2)6-11(20-23)15(16,17)18/h6-7,9H,5H2,1-4H3,(H,19,24)
InChIKeyIDCQCEHOPNAIIS-UHFFFAOYSA-N
XLogP2.41
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate (CID 19534850) is methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate is CCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)c(C(=O)OC)n1.
What is the InChIKey of methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The InChIKey is IDCQCEHOPNAIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O3/c1-5-22-7-10(12(21-22)14(25)26-4)19-13(24)9(3)23-8(2)6-11(20-23)15(16,17)18/h6-7,9H,5H2,1-4H3,(H,19,24).
What are the key properties of methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate has a molecular weight of 373.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate is sourced from PubChem (CID 19534850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).