2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C15H21N5O — CID 56718851

IUPAC2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCCCc1cnc(C)nc1N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C15H21N5O/c1-3-4-12-7-16-11(2)18-15(12)19-9-13-8-17-20(5-6-21)14(13)10-19/h7-8,21H,3-6,9-10H2,1-2H3
InChIKeyJQIIQHWEYMYOJW-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.45
Rot. Bonds5

About 2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56718851) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56718851
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCCCc1cnc(C)nc1N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C15H21N5O/c1-3-4-12-7-16-11(2)18-15(12)19-9-13-8-17-20(5-6-21)14(13)10-19/h7-8,21H,3-6,9-10H2,1-2H3
InChIKeyJQIIQHWEYMYOJW-UHFFFAOYSA-N
XLogP1.45
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56718851) is 2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is CCCc1cnc(C)nc1N1Cc2cnn(CCO)c2C1.
What is the InChIKey of 2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is JQIIQHWEYMYOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-4-12-7-16-11(2)18-15(12)19-9-13-8-17-20(5-6-21)14(13)10-19/h7-8,21H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 287.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56718851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).