3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

C9H15N3 — CID 83845835

IUPAC3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCC(C)(C)c1n[nH]c2c1CNC2
InChIInChI=1S/C9H15N3/c1-9(2,3)8-6-4-10-5-7(6)11-12-8/h10H,4-5H2,1-3H3,(H,11,12)
InChIKeyWVQBRPFVSSWCBJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.31
Rot. Bonds

About 3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (PubChem CID 83845835) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
PubChem CID83845835
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCC(C)(C)c1n[nH]c2c1CNC2
InChIInChI=1S/C9H15N3/c1-9(2,3)8-6-4-10-5-7(6)11-12-8/h10H,4-5H2,1-3H3,(H,11,12)
InChIKeyWVQBRPFVSSWCBJ-UHFFFAOYSA-N
XLogP1.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (CID 83845835) is 3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is CC(C)(C)c1n[nH]c2c1CNC2.
What is the InChIKey of 3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The InChIKey is WVQBRPFVSSWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-9(2,3)8-6-4-10-5-7(6)11-12-8/h10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole has a molecular weight of 165.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 83845835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).