tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate

C11H17N3O2 — CID 58377082

IUPACtert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate
SMILESCc1cc2n(n1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C11H17N3O2/c1-8-7-9-13(5-6-14(9)12-8)10(15)16-11(2,3)4/h7H,5-6H2,1-4H3
InChIKeyGZFOSNCHUADSMA-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.95
Rot. Bonds

About tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate

tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate (PubChem CID 58377082) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate
PubChem CID58377082
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate
SMILESCc1cc2n(n1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C11H17N3O2/c1-8-7-9-13(5-6-14(9)12-8)10(15)16-11(2,3)4/h7H,5-6H2,1-4H3
InChIKeyGZFOSNCHUADSMA-UHFFFAOYSA-N
XLogP1.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate (CID 58377082) is tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate is Cc1cc2n(n1)CCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate?
The InChIKey is GZFOSNCHUADSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-7-9-13(5-6-14(9)12-8)10(15)16-11(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate?
tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate is sourced from PubChem (CID 58377082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).