5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide

C15H18F3N5O — CID 50972137

IUPAC5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)c1C
InChIInChI=1S/C15H18F3N5O/c1-4-5-23-10(3)11(7-20-23)14(24)19-8-13-21-9(2)6-12(22-13)15(16,17)18/h6-7H,4-5,8H2,1-3H3,(H,19,24)
InChIKeySXEIWPFWHOYFLX-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.65
Rot. Bonds5

About 5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide

5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 50972137) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide
PubChem CID50972137
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)c1C
InChIInChI=1S/C15H18F3N5O/c1-4-5-23-10(3)11(7-20-23)14(24)19-8-13-21-9(2)6-12(22-13)15(16,17)18/h6-7H,4-5,8H2,1-3H3,(H,19,24)
InChIKeySXEIWPFWHOYFLX-UHFFFAOYSA-N
XLogP2.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide (CID 50972137) is 5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)c1C.
What is the InChIKey of 5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is SXEIWPFWHOYFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-4-5-23-10(3)11(7-20-23)14(24)19-8-13-21-9(2)6-12(22-13)15(16,17)18/h6-7H,4-5,8H2,1-3H3,(H,19,24).
What are the key properties of 5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 50972137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).