3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one

C15H21N5O2 — CID 56756276

IUPAC3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C15H21N5O2/c1-2-14-16-4-6-18(14)5-3-15(22)19-10-12-9-17-20(7-8-21)13(12)11-19/h4,6,9,21H,2-3,5,7-8,10-11H2,1H3
InChIKeyMENMZKLNIHOXMQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.57
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one (PubChem CID 56756276) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one
PubChem CID56756276
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C15H21N5O2/c1-2-14-16-4-6-18(14)5-3-15(22)19-10-12-9-17-20(7-8-21)13(12)11-19/h4,6,9,21H,2-3,5,7-8,10-11H2,1H3
InChIKeyMENMZKLNIHOXMQ-UHFFFAOYSA-N
XLogP0.57
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one (CID 56756276) is 3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one is CCc1nccn1CCC(=O)N1Cc2cnn(CCO)c2C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
The InChIKey is MENMZKLNIHOXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-14-16-4-6-18(14)5-3-15(22)19-10-12-9-17-20(7-8-21)13(12)11-19/h4,6,9,21H,2-3,5,7-8,10-11H2,1H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one has a molecular weight of 303.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one is sourced from PubChem (CID 56756276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).