2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H17F3N4O — CID 4865085

IUPAC2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cccnc1NC(=O)C(C)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H17F3N4O/c1-9-5-4-6-19-13(9)20-14(23)10(2)8-22-11(3)7-12(21-22)15(16,17)18/h4-7,10H,8H2,1-3H3,(H,19,20,23)
InChIKeyDDFGCDWXCUWYLS-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.19
Rot. Bonds4

About 2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 4865085) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID4865085
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cccnc1NC(=O)C(C)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C15H17F3N4O/c1-9-5-4-6-19-13(9)20-14(23)10(2)8-22-11(3)7-12(21-22)15(16,17)18/h4-7,10H,8H2,1-3H3,(H,19,20,23)
InChIKeyDDFGCDWXCUWYLS-UHFFFAOYSA-N
XLogP3.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 4865085) is 2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for 2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cccnc1NC(=O)C(C)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is DDFGCDWXCUWYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-9-5-4-6-19-13(9)20-14(23)10(2)8-22-11(3)7-12(21-22)15(16,17)18/h4-7,10H,8H2,1-3H3,(H,19,20,23).
What are the key properties of 2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 326.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-2-pyridinyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 4865085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).