tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate

C14H22FN3O2 — CID 126570108

IUPACtert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
SMILESCC(C)(F)Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H22FN3O2/c1-13(2,3)20-12(19)17-7-10-6-16-18(11(10)8-17)9-14(4,5)15/h6H,7-9H2,1-5H3
InChIKeyCRZFEGAKUMMIMW-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.88
Rot. Bonds2

About tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate

tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate (PubChem CID 126570108) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
PubChem CID126570108
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Nametert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
SMILESCC(C)(F)Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H22FN3O2/c1-13(2,3)20-12(19)17-7-10-6-16-18(11(10)8-17)9-14(4,5)15/h6H,7-9H2,1-5H3
InChIKeyCRZFEGAKUMMIMW-UHFFFAOYSA-N
XLogP2.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
The IUPAC name of tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate (CID 126570108) is tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate.
What is the SMILES notation for tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
The canonical SMILES for tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate is CC(C)(F)Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
The InChIKey is CRZFEGAKUMMIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-13(2,3)20-12(19)17-7-10-6-16-18(11(10)8-17)9-14(4,5)15/h6H,7-9H2,1-5H3.
What are the key properties of tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?
tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate is sourced from PubChem (CID 126570108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).