3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

C8H13N3 — CID 83845508

IUPAC3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCC(C)c1n[nH]c2c1CNC2
InChIInChI=1S/C8H13N3/c1-5(2)8-6-3-9-4-7(6)10-11-8/h5,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyDNRVZPWRDDOUJP-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.14
Rot. Bonds1

About 3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (PubChem CID 83845508) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
PubChem CID83845508
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCC(C)c1n[nH]c2c1CNC2
InChIInChI=1S/C8H13N3/c1-5(2)8-6-3-9-4-7(6)10-11-8/h5,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyDNRVZPWRDDOUJP-UHFFFAOYSA-N
XLogP1.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (CID 83845508) is 3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is CC(C)c1n[nH]c2c1CNC2.
What is the InChIKey of 3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The InChIKey is DNRVZPWRDDOUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5(2)8-6-3-9-4-7(6)10-11-8/h5,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole has a molecular weight of 151.21 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 83845508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).