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

C17H25N3O2 — CID 122419953

IUPACtert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC1Cn2ncc(C3=CCCC3)c2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N3O2/c1-12-10-20-15(11-19(12)16(21)22-17(2,3)4)14(9-18-20)13-7-5-6-8-13/h7,9,12H,5-6,8,10-11H2,1-4H3
InChIKeyUIWHMXRBVYUPQU-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.59
Rot. Bonds1

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

tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 122419953) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID122419953
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Nametert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC1Cn2ncc(C3=CCCC3)c2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N3O2/c1-12-10-20-15(11-19(12)16(21)22-17(2,3)4)14(9-18-20)13-7-5-6-8-13/h7,9,12H,5-6,8,10-11H2,1-4H3
InChIKeyUIWHMXRBVYUPQU-UHFFFAOYSA-N
XLogP3.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 122419953) is tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC1Cn2ncc(C3=CCCC3)c2CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is UIWHMXRBVYUPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-10-20-15(11-19(12)16(21)22-17(2,3)4)14(9-18-20)13-7-5-6-8-13/h7,9,12H,5-6,8,10-11H2,1-4H3.
What are the key properties of tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 122419953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).