2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide

C15H16ClF3N4O2 — CID 4773976

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cc(C)n(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)c(=O)c1
InChIInChI=1S/C15H16ClF3N4O2/c1-7-5-8(2)22(11(24)6-7)21-14(25)10(4)23-9(3)12(16)13(20-23)15(17,18)19/h5-6,10H,1-4H3,(H,21,25)
InChIKeyAGTCSWBFXINFPM-UHFFFAOYSA-N
MW376.77 g/mol
LogP2.97
Rot. Bonds3

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 4773976) has the molecular formula C15H16ClF3N4O2 and a molecular weight of 376.77 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
PubChem CID4773976
Molecular FormulaC15H16ClF3N4O2
Molecular Weight376.77 g/mol
Exact Mass376.09
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cc(C)n(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)c(=O)c1
InChIInChI=1S/C15H16ClF3N4O2/c1-7-5-8(2)22(11(24)6-7)21-14(25)10(4)23-9(3)12(16)13(20-23)15(17,18)19/h5-6,10H,1-4H3,(H,21,25)
InChIKeyAGTCSWBFXINFPM-UHFFFAOYSA-N
XLogP2.97
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide (CID 4773976) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide is Cc1cc(C)n(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)c(=O)c1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is AGTCSWBFXINFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O2/c1-7-5-8(2)22(11(24)6-7)21-14(25)10(4)23-9(3)12(16)13(20-23)15(17,18)19/h5-6,10H,1-4H3,(H,21,25).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 376.77 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 4773976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).