N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C12H11F3N4O — CID 45147756

IUPACN-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccn1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O/c1-8(11(20)17-10-4-2-3-6-16-10)19-7-5-9(18-19)12(13,14)15/h2-8H,1H3,(H,16,17,20)
InChIKeyPDVQRVDIQWTJGD-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.50
Rot. Bonds3

About N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 45147756) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID45147756
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC NameN-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccn1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O/c1-8(11(20)17-10-4-2-3-6-16-10)19-7-5-9(18-19)12(13,14)15/h2-8H,1H3,(H,16,17,20)
InChIKeyPDVQRVDIQWTJGD-UHFFFAOYSA-N
XLogP2.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 45147756) is N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)Nc1ccccn1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is PDVQRVDIQWTJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-8(11(20)17-10-4-2-3-6-16-10)19-7-5-9(18-19)12(13,14)15/h2-8H,1H3,(H,16,17,20).
What are the key properties of N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 284.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 45147756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).