3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole

C18H17FN4 — CID 155591385

IUPAC3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCN1Cc2nn(Cc3cccnc3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C18H17FN4/c1-22-11-15-17(12-22)21-23(10-13-5-4-8-20-9-13)18(15)14-6-2-3-7-16(14)19/h2-9H,10-12H2,1H3
InChIKeyHRWRQENWVWEZOK-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.08
Rot. Bonds3

About 3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole

3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 155591385) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID155591385
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCN1Cc2nn(Cc3cccnc3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C18H17FN4/c1-22-11-15-17(12-22)21-23(10-13-5-4-8-20-9-13)18(15)14-6-2-3-7-16(14)19/h2-9H,10-12H2,1H3
InChIKeyHRWRQENWVWEZOK-UHFFFAOYSA-N
XLogP3.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 155591385) is 3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole is CN1Cc2nn(Cc3cccnc3)c(-c3ccccc3F)c2C1.
What is the InChIKey of 3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is HRWRQENWVWEZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-22-11-15-17(12-22)21-23(10-13-5-4-8-20-9-13)18(15)14-6-2-3-7-16(14)19/h2-9H,10-12H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 308.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 155591385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).