[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone

C14H19N5O — CID 97405266

IUPAC[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone
SMILESCN(C)Cc1nn(C)c2c1CN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C14H19N5O/c1-17(2)8-12-10-7-19(9-13(10)18(3)16-12)14(20)11-5-4-6-15-11/h4-6,15H,7-9H2,1-3H3
InChIKeyHSFREXQWOXPUEE-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.97
Rot. Bonds3

About [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone

[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97405266) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97405266
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone
SMILESCN(C)Cc1nn(C)c2c1CN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C14H19N5O/c1-17(2)8-12-10-7-19(9-13(10)18(3)16-12)14(20)11-5-4-6-15-11/h4-6,15H,7-9H2,1-3H3
InChIKeyHSFREXQWOXPUEE-UHFFFAOYSA-N
XLogP0.97
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone (CID 97405266) is [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone is CN(C)Cc1nn(C)c2c1CN(C(=O)c1ccc[nH]1)C2.
What is the InChIKey of [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is HSFREXQWOXPUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-17(2)8-12-10-7-19(9-13(10)18(3)16-12)14(20)11-5-4-6-15-11/h4-6,15H,7-9H2,1-3H3.
What are the key properties of [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone?
[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97405266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).