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

C15H18FN5O2 — CID 122419965

IUPACtert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2ncc(-c3ncc(F)cn3)c2C1
InChIInChI=1S/C15H18FN5O2/c1-15(2,3)23-14(22)20-4-5-21-12(9-20)11(8-19-21)13-17-6-10(16)7-18-13/h6-8H,4-5,9H2,1-3H3
InChIKeyVFNJXIKYPQOXNR-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.23
Rot. Bonds1

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

tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 122419965) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID122419965
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Nametert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2ncc(-c3ncc(F)cn3)c2C1
InChIInChI=1S/C15H18FN5O2/c1-15(2,3)23-14(22)20-4-5-21-12(9-20)11(8-19-21)13-17-6-10(16)7-18-13/h6-8H,4-5,9H2,1-3H3
InChIKeyVFNJXIKYPQOXNR-UHFFFAOYSA-N
XLogP2.23
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate with MolForge

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Related Compounds

4-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 647029
tert-butyl 2-morpholino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CID 119106458
Tert-butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate
CID 52988153
Tert-butyl 2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 67065852
Tert-butyl 1-[2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 68210981
Tert-butyl 2-[2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 89728279
tert-butyl 1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxylate
CID 90409189
tert-butyl (4S)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxylate
CID 90409190
(6S)-3-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 121483993
tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419970
tert-butyl (6S)-3-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122420029
tert-butyl N-ethyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 122491091

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 122419965) is tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCn2ncc(-c3ncc(F)cn3)c2C1.
What is the InChIKey of tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is VFNJXIKYPQOXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-15(2,3)23-14(22)20-4-5-21-12(9-20)11(8-19-21)13-17-6-10(16)7-18-13/h6-8H,4-5,9H2,1-3H3.
What are the key properties of tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 319.34 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 122419965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).