(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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Related Compounds

(1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone
CID 97389023
[1-Methyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 97389061
[5-(Cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 97389066
[5-(Cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 97408305
[1-Methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 97462006
(1-Methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 97462012
(5-Butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 118742610
(5-Butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 118744860
2,3-dimethyl-2H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridin-7-one
CID 165996482
2-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]octahydropyrrolo[1,2-a]pyrazine
CID 4155287
(4-Propylpiperazin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 40140215
(5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 45502072

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).