2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide

C16H17F3N4O2 — CID 4774023

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)n(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(=O)c1
InChIInChI=1S/C16H17F3N4O2/c1-9-5-10(2)23(15(25)6-9)21-14(24)8-22-12(11-3-4-11)7-13(20-22)16(17,18)19/h5-7,11H,3-4,8H2,1-2H3,(H,21,24)
InChIKeyHCAVIOXTLNWAEF-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.33
Rot. Bonds4

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide (PubChem CID 4774023) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide
PubChem CID4774023
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)n(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(=O)c1
InChIInChI=1S/C16H17F3N4O2/c1-9-5-10(2)23(15(25)6-9)21-14(24)8-22-12(11-3-4-11)7-13(20-22)16(17,18)19/h5-7,11H,3-4,8H2,1-2H3,(H,21,24)
InChIKeyHCAVIOXTLNWAEF-UHFFFAOYSA-N
XLogP2.33
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide (CID 4774023) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide is Cc1cc(C)n(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(=O)c1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
The InChIKey is HCAVIOXTLNWAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-9-5-10(2)23(15(25)6-9)21-14(24)8-22-12(11-3-4-11)7-13(20-22)16(17,18)19/h5-7,11H,3-4,8H2,1-2H3,(H,21,24).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide has a molecular weight of 354.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 4774023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).