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

C17H25N3O2 — CID 122419943

IUPACtert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2ncc(C3=CCCCC3)c2C1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)22-16(21)19-9-10-20-15(12-19)14(11-18-20)13-7-5-4-6-8-13/h7,11H,4-6,8-10,12H2,1-3H3
InChIKeyYFMPLBAKPKDWDS-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.59
Rot. Bonds1

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

tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 122419943) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID122419943
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Nametert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2ncc(C3=CCCCC3)c2C1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)22-16(21)19-9-10-20-15(12-19)14(11-18-20)13-7-5-4-6-8-13/h7,11H,4-6,8-10,12H2,1-3H3
InChIKeyYFMPLBAKPKDWDS-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-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 122419943) is tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCn2ncc(C3=CCCCC3)c2C1.
What is the InChIKey of tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is YFMPLBAKPKDWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2,3)22-16(21)19-9-10-20-15(12-19)14(11-18-20)13-7-5-4-6-8-13/h7,11H,4-6,8-10,12H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-(cyclohexen-1-yl)-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-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 122419943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).