1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole

C9H13N3 — CID 118974332

IUPAC1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCN1Cc2cnn(C3CC3)c2C1
InChIInChI=1S/C9H13N3/c1-11-5-7-4-10-12(8-2-3-8)9(7)6-11/h4,8H,2-3,5-6H2,1H3
InChIKeyLKCATBDIQQUHRL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.16
Rot. Bonds1

About 1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole

1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 118974332) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID118974332
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCN1Cc2cnn(C3CC3)c2C1
InChIInChI=1S/C9H13N3/c1-11-5-7-4-10-12(8-2-3-8)9(7)6-11/h4,8H,2-3,5-6H2,1H3
InChIKeyLKCATBDIQQUHRL-UHFFFAOYSA-N
XLogP1.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 118974332) is 1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole is CN1Cc2cnn(C3CC3)c2C1.
What is the InChIKey of 1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is LKCATBDIQQUHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-11-5-7-4-10-12(8-2-3-8)9(7)6-11/h4,8H,2-3,5-6H2,1H3.
What are the key properties of 1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 163.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 118974332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).