6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole

C15H25N3 — CID 58045286

IUPAC6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole
SMILESC=C1c2n[nH]c(C(C)C)c2C(C(C)C)N1C(C)C
InChIInChI=1S/C15H25N3/c1-8(2)13-12-14(17-16-13)11(7)18(10(5)6)15(12)9(3)4/h8-10,15H,7H2,1-6H3,(H,16,17)
InChIKeyRGGBPPLNANINKQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.92
Rot. Bonds3

About 6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole

6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 58045286) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole
PubChem CID58045286
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole
SMILESC=C1c2n[nH]c(C(C)C)c2C(C(C)C)N1C(C)C
InChIInChI=1S/C15H25N3/c1-8(2)13-12-14(17-16-13)11(7)18(10(5)6)15(12)9(3)4/h8-10,15H,7H2,1-6H3,(H,16,17)
InChIKeyRGGBPPLNANINKQ-UHFFFAOYSA-N
XLogP3.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole (CID 58045286) is 6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole is C=C1c2n[nH]c(C(C)C)c2C(C(C)C)N1C(C)C.
What is the InChIKey of 6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is RGGBPPLNANINKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-8(2)13-12-14(17-16-13)11(7)18(10(5)6)15(12)9(3)4/h8-10,15H,7H2,1-6H3,(H,16,17).
What are the key properties of 6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole?
6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 247.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3,4,5-tri(propan-2-yl)-2,4-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 58045286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).