5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole

C12H21N3 — CID 168820911

IUPAC5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole
SMILESCn1cc2c(n1)C(C)(C)N(C(C)(C)C)C2
InChIInChI=1S/C12H21N3/c1-11(2,3)15-8-9-7-14(6)13-10(9)12(15,4)5/h7H,8H2,1-6H3
InChIKeyJWUPSUPSRGYMJO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.27
Rot. Bonds

About 5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole

5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 168820911) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole
PubChem CID168820911
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole
SMILESCn1cc2c(n1)C(C)(C)N(C(C)(C)C)C2
InChIInChI=1S/C12H21N3/c1-11(2,3)15-8-9-7-14(6)13-10(9)12(15,4)5/h7H,8H2,1-6H3
InChIKeyJWUPSUPSRGYMJO-UHFFFAOYSA-N
XLogP2.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole (CID 168820911) is 5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole is Cn1cc2c(n1)C(C)(C)N(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is JWUPSUPSRGYMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2,3)15-8-9-7-14(6)13-10(9)12(15,4)5/h7H,8H2,1-6H3.
What are the key properties of 5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole?
5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 207.32 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 168820911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).