N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide

C12H12F3N3O2 — CID 129034494

IUPACN-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide
SMILESCCC(=O)NCc1c(C(F)(F)F)cc2cc[nH]n2c1=O
InChIInChI=1S/C12H12F3N3O2/c1-2-10(19)16-6-8-9(12(13,14)15)5-7-3-4-17-18(7)11(8)20/h3-5,17H,2,6H2,1H3,(H,16,19)
InChIKeyDERMPAKZKCYBNC-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.67
Rot. Bonds3

About N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide

N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide (PubChem CID 129034494) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide
PubChem CID129034494
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC NameN-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide
SMILESCCC(=O)NCc1c(C(F)(F)F)cc2cc[nH]n2c1=O
InChIInChI=1S/C12H12F3N3O2/c1-2-10(19)16-6-8-9(12(13,14)15)5-7-3-4-17-18(7)11(8)20/h3-5,17H,2,6H2,1H3,(H,16,19)
InChIKeyDERMPAKZKCYBNC-UHFFFAOYSA-N
XLogP1.67
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide?
The IUPAC name of N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide (CID 129034494) is N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide.
What is the SMILES notation for N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide?
The canonical SMILES for N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide is CCC(=O)NCc1c(C(F)(F)F)cc2cc[nH]n2c1=O.
What is the InChIKey of N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide?
The InChIKey is DERMPAKZKCYBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-2-10(19)16-6-8-9(12(13,14)15)5-7-3-4-17-18(7)11(8)20/h3-5,17H,2,6H2,1H3,(H,16,19).
What are the key properties of N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide?
N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide has a molecular weight of 287.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide is sourced from PubChem (CID 129034494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).