methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate

C14H13F3N4O3 — CID 91562229

IUPACmethyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C)nn2C)ccn1
InChIInChI=1S/C14H13F3N4O3/c1-7-10(14(15,16)17)11(21(2)20-7)12(22)19-8-4-5-18-9(6-8)13(23)24-3/h4-6H,1-3H3,(H,18,19,22)
InChIKeyUUOVVXHSDUMGHP-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.18
Rot. Bonds3

About methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate

methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 91562229) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate
PubChem CID91562229
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Namemethyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C)nn2C)ccn1
InChIInChI=1S/C14H13F3N4O3/c1-7-10(14(15,16)17)11(21(2)20-7)12(22)19-8-4-5-18-9(6-8)13(23)24-3/h4-6H,1-3H3,(H,18,19,22)
InChIKeyUUOVVXHSDUMGHP-UHFFFAOYSA-N
XLogP2.18
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate (CID 91562229) is methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate is COC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C)nn2C)ccn1.
What is the InChIKey of methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is UUOVVXHSDUMGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c1-7-10(14(15,16)17)11(21(2)20-7)12(22)19-8-4-5-18-9(6-8)13(23)24-3/h4-6H,1-3H3,(H,18,19,22).
What are the key properties of methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate?
methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 342.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 91562229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).