2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol

C15H22N4O — CID 97405383

IUPAC2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol
SMILESCC(C)n1nc(Cn2cccc2)c2c1CN(CCO)C2
InChIInChI=1S/C15H22N4O/c1-12(2)19-15-11-18(7-8-20)9-13(15)14(16-19)10-17-5-3-4-6-17/h3-6,12,20H,7-11H2,1-2H3
InChIKeyFDILGTDDVJKSHE-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.62
Rot. Bonds5

About 2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol

2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol (PubChem CID 97405383) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol
PubChem CID97405383
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol
SMILESCC(C)n1nc(Cn2cccc2)c2c1CN(CCO)C2
InChIInChI=1S/C15H22N4O/c1-12(2)19-15-11-18(7-8-20)9-13(15)14(16-19)10-17-5-3-4-6-17/h3-6,12,20H,7-11H2,1-2H3
InChIKeyFDILGTDDVJKSHE-UHFFFAOYSA-N
XLogP1.62
TPSA46.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol?
The IUPAC name of 2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol (CID 97405383) is 2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol is CC(C)n1nc(Cn2cccc2)c2c1CN(CCO)C2.
What is the InChIKey of 2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol?
The InChIKey is FDILGTDDVJKSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)19-15-11-18(7-8-20)9-13(15)14(16-19)10-17-5-3-4-6-17/h3-6,12,20H,7-11H2,1-2H3.
What are the key properties of 2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol?
2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol has a molecular weight of 274.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propan-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol is sourced from PubChem (CID 97405383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).