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

C17H21FN4O2 — CID 122419963

IUPACtert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H21FN4O2/c1-11-9-22-15(10-21(11)16(23)24-17(2,3)4)13(8-20-22)14-6-5-12(18)7-19-14/h5-8,11H,9-10H2,1-4H3
InChIKeyZSFNFFFIPXEBSS-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.22
Rot. Bonds1

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

tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 122419963) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID122419963
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Nametert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H21FN4O2/c1-11-9-22-15(10-21(11)16(23)24-17(2,3)4)13(8-20-22)14-6-5-12(18)7-19-14/h5-8,11H,9-10H2,1-4H3
InChIKeyZSFNFFFIPXEBSS-UHFFFAOYSA-N
XLogP3.22
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 122419963) is tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is ZSFNFFFIPXEBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11-9-22-15(10-21(11)16(23)24-17(2,3)4)13(8-20-22)14-6-5-12(18)7-19-14/h5-8,11H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 122419963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).