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

C15H21F3N4O3 — CID 151917772

IUPACtert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESC[C@@H](NC(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C(F)(F)F
InChIInChI=1S/C15H21F3N4O3/c1-9(15(16,17)18)20-12(23)10-7-19-22-6-5-21(8-11(10)22)13(24)25-14(2,3)4/h7,9H,5-6,8H2,1-4H3,(H,20,23)/t9-/m1/s1
InChIKeySWCXNRVGWQSZQH-SECBINFHSA-N
MW362.35 g/mol
LogP2.31
Rot. Bonds2

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

tert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 151917772) has the molecular formula C15H21F3N4O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is tert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID151917772
Molecular FormulaC15H21F3N4O3
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC Nametert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESC[C@@H](NC(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C(F)(F)F
InChIInChI=1S/C15H21F3N4O3/c1-9(15(16,17)18)20-12(23)10-7-19-22-6-5-21(8-11(10)22)13(24)25-14(2,3)4/h7,9H,5-6,8H2,1-4H3,(H,20,23)/t9-/m1/s1
InChIKeySWCXNRVGWQSZQH-SECBINFHSA-N
XLogP2.31
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 151917772) is tert-butyl 3-[[(2R)-1,1,1-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)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is C[C@@H](NC(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C(F)(F)F.
What is the InChIKey of tert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is SWCXNRVGWQSZQH-SECBINFHSA-N. The full InChI is InChI=1S/C15H21F3N4O3/c1-9(15(16,17)18)20-12(23)10-7-19-22-6-5-21(8-11(10)22)13(24)25-14(2,3)4/h7,9H,5-6,8H2,1-4H3,(H,20,23)/t9-/m1/s1.
What are the key properties of tert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-[[(2R)-1,1,1-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 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 151917772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).