2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide

C13H13F3N4O — CID 19534642

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1ccncc1
InChIInChI=1S/C13H13F3N4O/c1-8-7-11(13(14,15)16)19-20(8)9(2)12(21)18-10-3-5-17-6-4-10/h3-7,9H,1-2H3,(H,17,18,21)
InChIKeyKIHVZWGKXQZTCW-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.81
Rot. Bonds3

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide (PubChem CID 19534642) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide
PubChem CID19534642
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1ccncc1
InChIInChI=1S/C13H13F3N4O/c1-8-7-11(13(14,15)16)19-20(8)9(2)12(21)18-10-3-5-17-6-4-10/h3-7,9H,1-2H3,(H,17,18,21)
InChIKeyKIHVZWGKXQZTCW-UHFFFAOYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide (CID 19534642) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1ccncc1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is KIHVZWGKXQZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-8-7-11(13(14,15)16)19-20(8)9(2)12(21)18-10-3-5-17-6-4-10/h3-7,9H,1-2H3,(H,17,18,21).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide has a molecular weight of 298.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 19534642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).