5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine

C11H20N4 — CID 105462291

IUPAC5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
SMILESCCn1nc(N)c2c1CN(C(C)(C)C)C2
InChIInChI=1S/C11H20N4/c1-5-15-9-7-14(11(2,3)4)6-8(9)10(12)13-15/h5-7H2,1-4H3,(H2,12,13)
InChIKeyFLVLYEDONVZGBB-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.60
Rot. Bonds1

About 5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine

5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 105462291) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
PubChem CID105462291
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
SMILESCCn1nc(N)c2c1CN(C(C)(C)C)C2
InChIInChI=1S/C11H20N4/c1-5-15-9-7-14(11(2,3)4)6-8(9)10(12)13-15/h5-7H2,1-4H3,(H2,12,13)
InChIKeyFLVLYEDONVZGBB-UHFFFAOYSA-N
XLogP1.60
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine
CID 82651144
2-methyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine dihydrochloride
CID 121553094
1-methyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazol-3-amine dihydrochloride
CID 121553157
bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene
CID 123318955
1-Methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
CID 83917575
2-Methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 83917578
Methyl 3-amino-5-methyl-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate
CID 57832651
1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 58201302
tert-Butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
CID 71647969
1,4-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83845532
1,5-Dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
CID 83845535
1,5,6,6-tetramethyl-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83846561

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine (CID 105462291) is 5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine is CCn1nc(N)c2c1CN(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is FLVLYEDONVZGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-5-15-9-7-14(11(2,3)4)6-8(9)10(12)13-15/h5-7H2,1-4H3,(H2,12,13).
What are the key properties of 5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine has a molecular weight of 208.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 105462291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).