2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C11H13F3N4O — CID 114489227

IUPAC2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESNc1cnn(CC(=O)N2CC=C(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-1-3-17(4-2-8)10(19)7-18-6-9(15)5-16-18/h1,5-6H,2-4,7,15H2
InChIKeyWVUYJXVUBRLTGC-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.19
Rot. Bonds2

About 2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114489227) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114489227
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESNc1cnn(CC(=O)N2CC=C(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-1-3-17(4-2-8)10(19)7-18-6-9(15)5-16-18/h1,5-6H,2-4,7,15H2
InChIKeyWVUYJXVUBRLTGC-UHFFFAOYSA-N
XLogP1.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114489227) is 2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is Nc1cnn(CC(=O)N2CC=C(C(F)(F)F)CC2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is WVUYJXVUBRLTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)8-1-3-17(4-2-8)10(19)7-18-6-9(15)5-16-18/h1,5-6H,2-4,7,15H2.
What are the key properties of 2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 274.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114489227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).