methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate

C12H19N3O2 — CID 70937957

IUPACmethyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate
SMILESCOC(=O)Cn1cc2c(n1)CN(C(C)(C)C)C2
InChIInChI=1S/C12H19N3O2/c1-12(2,3)14-5-9-6-15(8-11(16)17-4)13-10(9)7-14/h6H,5,7-8H2,1-4H3
InChIKeyMYYWCGANWVQELF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds2

About methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate

methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate (PubChem CID 70937957) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate
PubChem CID70937957
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate
SMILESCOC(=O)Cn1cc2c(n1)CN(C(C)(C)C)C2
InChIInChI=1S/C12H19N3O2/c1-12(2,3)14-5-9-6-15(8-11(16)17-4)13-10(9)7-14/h6H,5,7-8H2,1-4H3
InChIKeyMYYWCGANWVQELF-UHFFFAOYSA-N
XLogP1.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate?
The IUPAC name of methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate (CID 70937957) is methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate?
The canonical SMILES for methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate is COC(=O)Cn1cc2c(n1)CN(C(C)(C)C)C2.
What is the InChIKey of methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate?
The InChIKey is MYYWCGANWVQELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)14-5-9-6-15(8-11(16)17-4)13-10(9)7-14/h6H,5,7-8H2,1-4H3.
What are the key properties of methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate?
methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate is sourced from PubChem (CID 70937957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).