tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C15H21F3N4O3 — CID 155255626

IUPACtert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2ncc(C(=O)N[C@H](CF)C(F)F)c2C1
InChIInChI=1S/C15H21F3N4O3/c1-15(2,3)25-14(24)21-4-5-22-11(8-21)9(7-19-22)13(23)20-10(6-16)12(17)18/h7,10,12H,4-6,8H2,1-3H3,(H,20,23)/t10-/m1/s1
InChIKeyNMWOLOKHVHEJAY-SNVBAGLBSA-N
MW362.35 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 155255626) has the molecular formula C15H21F3N4O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID155255626
Molecular FormulaC15H21F3N4O3
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC Nametert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2ncc(C(=O)N[C@H](CF)C(F)F)c2C1
InChIInChI=1S/C15H21F3N4O3/c1-15(2,3)25-14(24)21-4-5-22-11(8-21)9(7-19-22)13(23)20-10(6-16)12(17)18/h7,10,12H,4-6,8H2,1-3H3,(H,20,23)/t10-/m1/s1
InChIKeyNMWOLOKHVHEJAY-SNVBAGLBSA-N
XLogP1.97
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate 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 tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 155255626) is tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N[C@H](CF)C(F)F)c2C1.
What is the InChIKey of tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is NMWOLOKHVHEJAY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21F3N4O3/c1-15(2,3)25-14(24)21-4-5-22-11(8-21)9(7-19-22)13(23)20-10(6-16)12(17)18/h7,10,12H,4-6,8H2,1-3H3,(H,20,23)/t10-/m1/s1.
What are the key properties of tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 362.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2R)-1,1,3-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 155255626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).