[1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone

C16H26N4O — CID 97462006

IUPAC[1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CCN1Cc2c(C(=O)N3CCCC3)nn(C)c2C1
InChIInChI=1S/C16H26N4O/c1-12(2)6-9-19-10-13-14(11-19)18(3)17-15(13)16(21)20-7-4-5-8-20/h12H,4-11H2,1-3H3
InChIKeyRYTQPWPZYRSKSS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.02
Rot. Bonds4

About [1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone

[1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97462006) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID97462006
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CCN1Cc2c(C(=O)N3CCCC3)nn(C)c2C1
InChIInChI=1S/C16H26N4O/c1-12(2)6-9-19-10-13-14(11-19)18(3)17-15(13)16(21)20-7-4-5-8-20/h12H,4-11H2,1-3H3
InChIKeyRYTQPWPZYRSKSS-UHFFFAOYSA-N
XLogP2.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 97462006) is [1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone is CC(C)CCN1Cc2c(C(=O)N3CCCC3)nn(C)c2C1.
What is the InChIKey of [1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RYTQPWPZYRSKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)6-9-19-10-13-14(11-19)18(3)17-15(13)16(21)20-7-4-5-8-20/h12H,4-11H2,1-3H3.
What are the key properties of [1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 290.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97462006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).