(4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone

C15H25N5O — CID 97462024

IUPAC(4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone
SMILESCC(C)N1Cc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1
InChIInChI=1S/C15H25N5O/c1-11(2)20-9-12-13(10-20)18(4)16-14(12)15(21)19-7-5-17(3)6-8-19/h11H,5-10H2,1-4H3
InChIKeyAQQUTXWIIDTUFE-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.53
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone

(4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone (PubChem CID 97462024) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone
PubChem CID97462024
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone
SMILESCC(C)N1Cc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1
InChIInChI=1S/C15H25N5O/c1-11(2)20-9-12-13(10-20)18(4)16-14(12)15(21)19-7-5-17(3)6-8-19/h11H,5-10H2,1-4H3
InChIKeyAQQUTXWIIDTUFE-UHFFFAOYSA-N
XLogP0.53
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone (CID 97462024) is (4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone is CC(C)N1Cc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone?
The InChIKey is AQQUTXWIIDTUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)20-9-12-13(10-20)18(4)16-14(12)15(21)19-7-5-17(3)6-8-19/h11H,5-10H2,1-4H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone?
(4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone is sourced from PubChem (CID 97462024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).