ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate

C15H22N4O3 — CID 58015644

IUPACethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate
SMILESCCOC(=O)n1nc2c(c1NC(=O)C1CCC1)CNC2(C)C
InChIInChI=1S/C15H22N4O3/c1-4-22-14(21)19-12(17-13(20)9-6-5-7-9)10-8-16-15(2,3)11(10)18-19/h9,16H,4-8H2,1-3H3,(H,17,20)
InChIKeySPSADGKRZZGEBO-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.96
Rot. Bonds3

About ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate

ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate (PubChem CID 58015644) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate
PubChem CID58015644
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nameethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate
SMILESCCOC(=O)n1nc2c(c1NC(=O)C1CCC1)CNC2(C)C
InChIInChI=1S/C15H22N4O3/c1-4-22-14(21)19-12(17-13(20)9-6-5-7-9)10-8-16-15(2,3)11(10)18-19/h9,16H,4-8H2,1-3H3,(H,17,20)
InChIKeySPSADGKRZZGEBO-UHFFFAOYSA-N
XLogP1.96
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate?
The IUPAC name of ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate (CID 58015644) is ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate.
What is the SMILES notation for ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate?
The canonical SMILES for ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate is CCOC(=O)n1nc2c(c1NC(=O)C1CCC1)CNC2(C)C.
What is the InChIKey of ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate?
The InChIKey is SPSADGKRZZGEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-22-14(21)19-12(17-13(20)9-6-5-7-9)10-8-16-15(2,3)11(10)18-19/h9,16H,4-8H2,1-3H3,(H,17,20).
What are the key properties of ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate?
ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclobutanecarbonylamino)-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate is sourced from PubChem (CID 58015644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).