5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

C18H20N4 — CID 141047833

IUPAC5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESC1=CCN(c2n[nH]c3c2CN(CCc2ccccc2)C3)C=C1
InChIInChI=1S/C18H20N4/c1-3-7-15(8-4-1)9-12-21-13-16-17(14-21)19-20-18(16)22-10-5-2-6-11-22/h1-8,10H,9,11-14H2,(H,19,20)
InChIKeyWWGRJSAVGGKOBY-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.86
Rot. Bonds4

About 5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 141047833) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID141047833
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESC1=CCN(c2n[nH]c3c2CN(CCc2ccccc2)C3)C=C1
InChIInChI=1S/C18H20N4/c1-3-7-15(8-4-1)9-12-21-13-16-17(14-21)19-20-18(16)22-10-5-2-6-11-22/h1-8,10H,9,11-14H2,(H,19,20)
InChIKeyWWGRJSAVGGKOBY-UHFFFAOYSA-N
XLogP2.86
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 141047833) is 5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is C1=CCN(c2n[nH]c3c2CN(CCc2ccccc2)C3)C=C1.
What is the InChIKey of 5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is WWGRJSAVGGKOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-3-7-15(8-4-1)9-12-21-13-16-17(14-21)19-20-18(16)22-10-5-2-6-11-22/h1-8,10H,9,11-14H2,(H,19,20).
What are the key properties of 5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 292.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 141047833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).