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

C14H16F3N5O3 — CID 19342175

IUPACmethyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)CCn2nc(C(F)(F)F)cc2C)cnn1C
InChIInChI=1S/C14H16F3N5O3/c1-8-6-10(14(15,16)17)20-22(8)5-4-11(23)19-9-7-18-21(2)12(9)13(24)25-3/h6-7H,4-5H2,1-3H3,(H,19,23)
InChIKeyJUNORIJTGNKBBK-UHFFFAOYSA-N
MW359.31 g/mol
LogP1.76
Rot. Bonds5

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

methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate (PubChem CID 19342175) has the molecular formula C14H16F3N5O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate
PubChem CID19342175
Molecular FormulaC14H16F3N5O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Namemethyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)CCn2nc(C(F)(F)F)cc2C)cnn1C
InChIInChI=1S/C14H16F3N5O3/c1-8-6-10(14(15,16)17)20-22(8)5-4-11(23)19-9-7-18-21(2)12(9)13(24)25-3/h6-7H,4-5H2,1-3H3,(H,19,23)
InChIKeyJUNORIJTGNKBBK-UHFFFAOYSA-N
XLogP1.76
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 51.76
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-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate (CID 19342175) is methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate is COC(=O)c1c(NC(=O)CCn2nc(C(F)(F)F)cc2C)cnn1C.
What is the InChIKey of methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate?
The InChIKey is JUNORIJTGNKBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3/c1-8-6-10(14(15,16)17)20-22(8)5-4-11(23)19-9-7-18-21(2)12(9)13(24)25-3/h6-7H,4-5H2,1-3H3,(H,19,23).
What are the key properties of methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate?
methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate has a molecular weight of 359.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate is sourced from PubChem (CID 19342175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).