5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C13H17F3N4O2 — CID 146644924

IUPAC5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(=O)N1CCn2nc(C)c(C(=O)N[C@H](C)C(F)(F)F)c2C1
InChIInChI=1S/C13H17F3N4O2/c1-7-11(12(22)17-8(2)13(14,15)16)10-6-19(9(3)21)4-5-20(10)18-7/h8H,4-6H2,1-3H3,(H,17,22)/t8-/m1/s1
InChIKeyCDMONTKSXKHLGQ-MRVPVSSYSA-N
MW318.30 g/mol
LogP1.23
Rot. Bonds2

About 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 146644924) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID146644924
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(=O)N1CCn2nc(C)c(C(=O)N[C@H](C)C(F)(F)F)c2C1
InChIInChI=1S/C13H17F3N4O2/c1-7-11(12(22)17-8(2)13(14,15)16)10-6-19(9(3)21)4-5-20(10)18-7/h8H,4-6H2,1-3H3,(H,17,22)/t8-/m1/s1
InChIKeyCDMONTKSXKHLGQ-MRVPVSSYSA-N
XLogP1.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide 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 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 146644924) is 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is CC(=O)N1CCn2nc(C)c(C(=O)N[C@H](C)C(F)(F)F)c2C1.
What is the InChIKey of 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is CDMONTKSXKHLGQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-7-11(12(22)17-8(2)13(14,15)16)10-6-19(9(3)21)4-5-20(10)18-7/h8H,4-6H2,1-3H3,(H,17,22)/t8-/m1/s1.
What are the key properties of 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 146644924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).