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

C14H16F3N5O3 — CID 19341581

IUPACmethyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)C(C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H16F3N5O3/c1-7-5-10(14(15,16)17)19-22(7)8(2)12(23)18-9-6-21(3)20-11(9)13(24)25-4/h5-6,8H,1-4H3,(H,18,23)
InChIKeyVNCSCKQVAHIQOJ-UHFFFAOYSA-N
MW359.31 g/mol
LogP1.93
Rot. Bonds4

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

methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate (PubChem CID 19341581) has the molecular formula C14H16F3N5O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
PubChem CID19341581
Molecular FormulaC14H16F3N5O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Namemethyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)C(C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H16F3N5O3/c1-7-5-10(14(15,16)17)19-22(7)8(2)12(23)18-9-6-21(3)20-11(9)13(24)25-4/h5-6,8H,1-4H3,(H,18,23)
InChIKeyVNCSCKQVAHIQOJ-UHFFFAOYSA-N
XLogP1.93
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate (CID 19341581) is methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate is COC(=O)c1nn(C)cc1NC(=O)C(C)n1nc(C(F)(F)F)cc1C.
What is the InChIKey of methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The InChIKey is VNCSCKQVAHIQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3/c1-7-5-10(14(15,16)17)19-22(7)8(2)12(23)18-9-6-21(3)20-11(9)13(24)25-4/h5-6,8H,1-4H3,(H,18,23).
What are the key properties of methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate has a molecular weight of 359.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate is sourced from PubChem (CID 19341581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).