N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid

C12H15F3N4O3 — CID 166428681

IUPACN-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid
SMILESC=CC(=O)Nc1cc2n(n1)CCN(C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N4O.C2HF3O2/c1-3-10(15)11-9-6-8-7-13(2)4-5-14(8)12-9;3-2(4,5)1(6)7/h3,6H,1,4-5,7H2,2H3,(H,11,12,15);(H,6,7)
InChIKeyTWIOSNSQMJVJMW-UHFFFAOYSA-N
MW320.27 g/mol
LogP1.09
Rot. Bonds2

About N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid

N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid (PubChem CID 166428681) has the molecular formula C12H15F3N4O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid
PubChem CID166428681
Molecular FormulaC12H15F3N4O3
Molecular Weight320.27 g/mol
Exact Mass320.11
IUPAC NameN-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid
SMILESC=CC(=O)Nc1cc2n(n1)CCN(C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N4O.C2HF3O2/c1-3-10(15)11-9-6-8-7-13(2)4-5-14(8)12-9;3-2(4,5)1(6)7/h3,6H,1,4-5,7H2,2H3,(H,11,12,15);(H,6,7)
InChIKeyTWIOSNSQMJVJMW-UHFFFAOYSA-N
XLogP1.09
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid (CID 166428681) is N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid is C=CC(=O)Nc1cc2n(n1)CCN(C)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid?
The InChIKey is TWIOSNSQMJVJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.C2HF3O2/c1-3-10(15)11-9-6-8-7-13(2)4-5-14(8)12-9;3-2(4,5)1(6)7/h3,6H,1,4-5,7H2,2H3,(H,11,12,15);(H,6,7).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid?
N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid has a molecular weight of 320.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166428681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).